aleksandar matic anders palmqvist co-director responsible ......modeling of distortion during...

This booklet provides brief presentations of the research in the Area of Advance – Materials Science in Gothenburg, a strong scientific com-

munity with governmental funding for strategic research environments. It includes research in materials science at Chalmers and at the Depart-ment of Biomaterials at Sahlgrenska Academy, University of Gothenburg (GU). To provide a flavor of the activities we present the academic staff at Chalmers and GU Biomaterials engaged in the Area of Advance.

The Area of Advance is based on five excellence profiles: Materials for Health, Materials for Energy Applications, Sustainable Materials, Exper-imental Methods, and Theory and Modeling. The first three are directed towards applications and grand challenges for the society while the two latter are generic, laying the foundation for breakthroughs in materials science.

The researchers presented in the brochure are all active in one or more of the five profiles. Together they perform cutting edge research with the aim to contribute to finding solutions to important challenges in the materials field such as:

• More materials must be based on renewable feedstock

• Construction materials must become lighter; lighter constructions save both energy and materials

• New and improved ways for supply, transport, storage and conversion of energy require innovative new materials

• Functional materials, i.e. materials that utilize the native properties and functions of their own to achieve an intelligent action, will become more important

• Regenerative medicine will put high demands on the materials involv-ing both mechanical aspects and functionality

The aim of the Area of Advance is to combine scientific excellence and relevance for society. It stretches from education on the master and PhD levels to innovation. It includes five departments at Chalmers and the Department of Biomaterials at University of Gothenburg.

There are several centers of excellence in materials science operating under the umbrella of the Area of Advance – Materials Science. These centers normally have long term joint funding from the Swedish gov-ernment and from a consortium of industries. The Centers for Catalysis, High Temperature Corrosion, Railway Mechanics, Supramolecular Bio-materials, and BIOMATCELL, as well as the Wallenberg Wood Science Center are all strong entities with ten years or longer funding.

Gothenburg, August 2013

Peter Thomsen Responsible at GU

Aleksandar Matic Director

Anders PalmqvistCo-Director

Johan Ahlström Engineering metals for demanding applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5Martin Andersson Nanomaterials for Biological Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5Mats Andersson Polymer Technology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6Hans-Olof Andrén Detailed microstructure of materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6Yu Cao Materials Characterization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7Per-Anders Carlsson Surface chemistry - heterogeneous catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7Dinko Chakarov Physics with applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8Alexandre Dmitriev Functional optical nanomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8Magnus Ekh Material mechanics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9Karin Ekström The role of exosomes and microvesicles in tissue healing and regeneration at the interface . . . . . . . . . . . . . . 9Annika Enejder Molecular Microscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10Paul Erhart Electronic and atomic scale modeling of materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10Sten Eriksson Inorganic Materials - focus on complex oxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .11Lena K. L. Falk Microstructures of Inorganic Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .11Mark Foreman Industrial Materials Recycling and Nuclear Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12Paul Gatenholm Structure property relationship in biopolymer based materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12Stanislaw Gubanski High Voltage Engineering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .13Sheng Guo High-entropy Alloys . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .13Hanna Härelind Lean NOx reduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .14Anders Hellman Use of computational methods to find sustainable ways to produce and utilize energy . . . . . . . . . . . . . . . .14Anne-Marie Hermansson Microstructure design of soft materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .15Krister Holmberg Surfactants and biomolecules at interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .15Fredrik Höök Small-scale sensors and cell-membrane manipulation for life science applications . . . . . . . . . . . . . . . . . . . . . . .16Per Hyldgaard Theory of materials binding and function . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .16Patrik Johansson Next Generation Batteries (NGB) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .17Alexey Kalabukhov Physics of functional oxide films and heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .17Maths Karlsson Structure and dynamics in functional oxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .18Uta Klement Materials Characterization/Nanomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .18Anette Larsson Design of new polymer materials for controlled release . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .19Ragnar Larsson Computational continuum-atomistic modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .19Johan Liu Manufacturing and characterisation of nanomaterials and processes for thermal management . . . . . . . . . . . . . . .20Anna Martinelli Ionic liquid derived materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .20Aleksandar Matic Soft Matter Physics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .21Bengt-Erik Mellander Innovative energy conversion devices . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .21Kasper Moth-Poulsen Design and synthesis of new self-assembled molecular materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Christian Müller Polymer Technology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Stefan Norberg Disordered Crystalline Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .23Lars Nordstierna Soft Matter Characterization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .23Mats Norell Engineering metal surfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .24Lars Nyborg Surface and Interface Engineering of PM materials and Advanced Alloys . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .24Lars Öhrström Metal-Organic Frameworks . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .25Louise Olsson Emission cleaning from vehicles using heterogeneous catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .25Eva Olsson Functional structures of nanostructured materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .26Anders Palmquist Osseointegration: from macro to nano . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .26Anders Palmqvist Functional Materials Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .27Christer Persson Materials Engineering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .27Mikael Rigdahl Polymeric materials and composites . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .28Jonas Ringsberg Lightweight Structures and Material Characterisation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .28Per Rudquist Liquid Crystals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .29Elsebeth Schröder Atomic scale theory for sparse matter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .29Magnus Skoglundh Emission Control and Energy-related Catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .30Krystyna Stiller Material Physics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .30Jan-Erik Svensson Materials chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .31Jan Swenson Physics of soft and biological materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .31Luping Tang Building Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .32Pentti Tengvall Biomaterials. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .32Peter Thomsen Biomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .33Göran Wahnström Materials Modelling and Simulation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .33Shumin Wang Semiconductor heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .34Ergang Wang Polymer Electronics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .34Gunnar Westman Soft Matter Synthesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .35Dag Winkler Complex metal oxide heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .35August Yurgens Low-dimensional electron systems . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .36

5Materials Science at Chalmers and GU Biomaterials

Some properties of engineering metals are inherent from the elements they are composed of, for example stiffness and density. Other properties like strength or hardness and toughness can be tailored during material and component man-ufacturing. For estimates of the performance in the application, it is important to evaluate the material characteristics in the component and also consider the stability of properties during service, which often comprises high mechanical and thermal loads. A combination of testing and modelling is needed for the evaluation.

The experimental work includes studies of monotonic and cyclic deformation behaviour and its relation to microstructure, temperature and strain rate. The results are used both for physical interpretation of the material behaviour and used as input for numerical modelling of mechanical property development both in production and later, during service. Also connected phenomena like phase transformations, residual stresses and crack growth are studied.

An example is outlined in the figure which shows computed residual stresses in a martensitic coin (ø=22.5 mm, t=3 mm) after laser heating of top surface cen-tre to 575°C for 2 s. Deformations are enlarged 50x to show volume shrinkage on martensite tempering. Material models were achieved by laser irradiation ex-periments, dilatometry and mechanical testing at elevated temperatures [Ref 1].

Stresses in martensitic coin after laser heating

Selected Publications

Influence of short heat pulses on properties of martensite in medium carbon steels; K. Cvetkovski, J. Ahlström and B. Karlsson; Materials Science and Engineering: A, 561, 321-328 (2013)

Modeling of Distortion during Casting and Machining of Aluminum Engine Blocks with Cast-in Gray Iron Liners; J. Ahlström and R. Larsson; Materials Performance and Characterization, 9 (5) 1-19 (2012)

Mechanical behaviour of a rephosphorised steel for car body applications: Effects of temperature, strain rate and pretreatment; Y. Cao, J. Ahlström and B. Karlsson; Journal of Engineering Materials and Technology, 133, 021019-1 - 021019-11 (2011)

Engineering metals for demanding applications

Johan AhlströmDocent

MSc Chalmers University of TechnologyPhD Chalmers University of Technology

+46 (0) 31 [email protected]

We utilize nanochemistry to design nanomaterials for biological applications. Even though the field originates from the field of chemistry, the subject is highly multidisciplinary including biology, medicine and physics. Our research interests are:

BIOMIMETIC SYNTHESIS: Inspired by nature, we are mimicking the natural bot-tom up fabrication approach of synthesizing structures on the nanometer length scale. In specific, we are synthesizing various types of calcium phosphates, titania and silica having designed nano-sized features.

REGENERATIVE MEDICINE: In the field of regenerative medicine we are focusing on nanostructured implant surfaces both to increase and speed up their integration in tissue and to be able to control the release of certain drugs. In this research field we are collaborating with leading surgeons to perform preclinical studies.

NANOTOXICOLOGY: Major concerns have recently been directed towards the possible toxicity of nanomaterials. Within this research field we are focusing on how the properties of nanoparticles, such as size, shape, crystallinity and surface chemistry effects their toxicity and ability to penetrate biological barriers such as the skin.

A cross-sectional TEM image of a drug containing mesoporous implant

surface ex vivo


Formation of bone-like nanocrystalline apatite using self-assembled liquid crystals; W. He, P. Kjellin, F. Currie, P. Handa, C. Knee, J. Bielecki, R. L. Wallenberg and M. Andersson; Chem. Mater. 24, 892-902 (2012)

Meso-ordered soft hydrogels, M. Claesson, K. Engberg, C.W. Frank and M. Andersson; Soft Matter 8, 8149-8156 (2012)

Osteoporosis drugs in mesoporous titanium oxide thin films improve implant fixation to bone; N. Harmankaya, J. Karlsson, A. Palmquist, M. Halvarsson, K. Igawa, M. Andersson and P. Tengvall; Acta Biomater. 9, 7064-7073 (2013)

Nanomaterials for Biological Applications

Martin AnderssonAssociate Professor



6 Materials Science at Chalmers and GU Biomaterials

A large part of our research is directed towards polymer electronics. A major advantage with polymer electronics is the ease by which the semiconducting polymers can be deposited. It is no more difficult than printing a color magazine! The idea of printed electronics is realized today. Not on a commercial full scale production, but on an advanced research level and the progress depends strong-ly on the development of new and better polymers.

The aim with the research is mainly focused on the design and synthesis of new conjugated polymers for efficient and stable electronics such as solar cells, photo diodes, light-emitting diodes, lasers, thin film field effect transistors, elec-trochemical devices, sensorsƒ and to relate the chemical structure of the polymer to the device performance. If successful, this research is not only scientifically in-teresting but can also result in for example cheap solar cells and energy efficient lightning, which would be very beneficial for the environment and mankind.

Another central part of our research is focused on bulk polymers. One important task within this field is focused on developing isolating materials for high voltage cables, mainly in cooperation with different companies in the Gothenburg region.

Solutions of different conjugated polymers designed for the use in

solar cells


Semi-Transparent Tandem Organic Solar Cells with 90% Internal Quantum Efficiency; Z. Tang, Z. George, Z.F. Ma, J. Bergqvist, K. Tvingstedt, K. Vandewal, E. Wang, L.M. Andersson, M.R. Andersson, F.L. Zhang, O. Inganäs; Advanced Energy Materials 2(12), 1467-1476 (2012)

An Easily Accessible Isoindigo-Based Polymer for High-Performance Polymer Solar Cells; E. Wang, Z.F. Ma, Z. Zhang, K. Vandewal, P. Henriksson, O. Inganäs, F. Zhang, M.R. Andersson; Journal of the American Chemical Society 133(36), 14244-14247 (2011)

Polymer Photovoltaics with Alternating Copolymer/Fullerene Blends and Novel Device Architectures; O. Inganäs, F. Zhang, K. Tvingstedt, L.M. Andersson, S. Hellström, M.R. Andersson; Advanced Materials 22(20), E100-E116 (2010)

Polymer Technology

Mats AnderssonProfessor



We work with microscopy and microanalysis of primarily metallic materials using high-resolution methods such as atom probe tomography (APT) in combination with electron microscopy.

1. Design of new martensitic chromium steels for steam power plants. Today’s steels have limited creep and oxidation resistance. In collaboration with the Technical University of Denmark, Siemens and DONG we explore new ways of hardening by boron additions (Paper 1) and nanometer-sized Z-phase precipitates. The aim is to increase the service temperature from 600 to 650°C. This would increase the thermal efficiency by several percent and mean very large savings in CO2 emissions, since 70% of the World’s electricity is generated in fossil fueled steam power plants.

2. Plastic deformation of cemented carbides. Interfaces control e.g. sintering and plastic deformation behaviour of cemented carbides used for metal cutting opera-tions. In collaboration with atomistic modelling at Chalmers, Sandvik and Seco Tools, plastic deformation and detailed microstructure is studied in detail (Paper 2, Figure).

3. Hydrogen pick-up of zirconium alloys. In collaboration with Westinghouse, Vatten-fall, Sandvik and EPRI, we study the mechanisms of hydrogen pick-up during corro-sion of zirconium fuel cladding materials in water reactors. A pathway for hydrogen in the oxide was recently found (Paper 3).

WC/(Ta,W)C/Co with submono-layer Co (blue) segregation to

boundaries; APT image


Effect of boron on carbide coarsening at 600°C in 9-12% chromium steels; F Liu, DHR Fors, A Golpayegani, H-O Andrén and G Wahnström; Metall. Mater. Trans. A 43, 4053-4062 (2012)

Transition metal solubilities in WC in cemented carbide materials; J Weidow, S Johansson, H-O Andrén and G Wahnström; J. Amer. Cer. Soc. 94, 605-610 (2011)

Enrichment of Fe and Ni at metal and oxide grain boundaries in corroded Zircaloy-2; G Sundell, M Thuvander and H-O Andrén; Corr. Sci. 65, 10-12 (2012)

Detailed microstructure of materials

Hans-Olof AndrénProfessor




I have been working in the area of material’s characterization focusing on the surface and interface analysis, with an emphasis on the spectroscopy such as X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES) with the sampling depth less than 10 nm. Surface analyses have found wide applications at both basic and applied research levels in the areas including mi-croelectronics, sustainable energy sources, metallurgy, catalysis, coatings, poly-mer, corrosion, nanotechnology, tribology, and biomaterials. The ability of surface analysis techniques to generate a deep understanding of surface phenomena is demonstrated by the investigations of, for instance: i) Silicides contacts on semi-conductor SiC contacts; ii) Systematic in-situ XPS study of transition metal sili-cides; iii) High temperature material for turbine structures - crack growth in grain boundaries; iv) High temperature corrosion in diesel exhaust gas after-treatment systems; v) Atmospheric corrosion of Mg alloys.

Another research focus is on the mechanical behaviours of engineering metals and the correlation with microstructure, temperature and strain rate. Examples of research topics include i) Effect of trace elements on structure and properties of Cu-based elastic alloy; ii) Materials behaviour in automotive crash situations - influence of mechanical and thermal pre-treatment.

XPS core level Ni 2p3/2 spectra from different silicides


Role of Nitrogen Uptake During the Oxidation of 304L and 904L Austenitic Stainless Steels; Y. Cao and M. Norell; Oxidation of Metals DOI 10.1007/s11085-013-9391-1 (2013)

Materials Science and Engineering A 528 (6), 2570-2580 (2011)

Mechanical behaviour of a rephosphorised steel for car body applications: Effects of temperature, strain rate and pretreatment; Y. Cao, J. Ahlström and B. Karlsson; Journal of Engineering Materials and Technology, 133, 021019-1 - 021019-11 (2011)

Materials Characterization

Yu CaoAssistant Professor

MSc Central South University, ChangshaPhD Chalmers University of Technology

+46 (0) 31 77212 [email protected]

My research concerns surface chemistry with particular focus on the design and studies of new catalyst-based concepts for environmental and sustain-able energy applications. I adopt a research approach that balances chemistry and physics with some elements of chemical engineering, which is suitable for heterogeneous catalysis research. I strive for cross-disciplinary collaborations joining methods from traditionally different disciplines as to advance the field of “time-resolved in situ studies of the surface chemistry of heterogeneous catalytic reactions at the atomic scale”. The aim is to better understand mechanisms and basic principles behind activity, selectivity and durability for generic as well as more specialised catalytic processes.

One recent example concerns characterisation of structure-function rela-tionships in methane oxidation over both supported catalysts and surfaces studied primarily at large-scale European research facilities (ESRF/Grenoble, PETRA III/Hamburg and MAX-lab/Lund). Time-resolved mass spectrometry and infrared spectroscopy with synchronous x-ray absorption spectroscopy or high-energy x-ray diffraction have been used in situ during transient conditions to correlate activity/selectivity with adsorbate composition and chemical state and physical structure of the catalyst. Also high-energy surface x-ray diffraction and high-pressure x-ray photoelectron spectroscopy have been used to study surfaces in situ.

Heterogeneous catalysis involves several research areas


In situ spectroscopic investigation of low-temperature oxidation of methane over alumina-supported platinum during periodic operation, E. Becker, P.-A. Carlsson, L. Kylhammar, M. A. Newton and M. Skoglundh, J. Phys. Chem. C 115, 944-951 (2011)

The active phase of Pd during methane oxidation, A. Hellman, A. Resta, N.M. Martin, J. Gustafson, A. Trinchero, P.-A. Carlsson, O. Balmes, R. Felici, R. van Rijn, J.W.M. Frenken, J. N. Andersen, E. Lundgren and H. Grönbeck, J. Phys. Chem. Lett. 3, 678-682 (2012)

Mechanisms behind sulfur promoted low-temperature oxidation of methane; D. Bounechada, S. Fouladvand, L. Kylhammar, T. Pingel E. Olsson, M. Skoglundh, J. Gustafson, M. Di Michiel, M. A. Newton and P.-A. Carlsson; Phys. Chem. Chem. Phys. 15, 8648-8661 (2013)

Surface chemistry - heterogeneous catalysis

Phys

ics

Chemistry

Engineering

Catalysis

Per-Anders CarlssonAssociate Professor




For an experimental physicist within the interdisciplinary area of Surface Science the scientific challenges are numerous. My research interests are towards ex-amination of the fundamental energy and charge transfer between substrate and the adsorbed layer as result of adsorption and during electron, ion and photon irradiation. Specifically, experimental evaluation of the mechanisms of optical excitations in nanoparticle- and nanocavity arrays and the related physical and chemical processes at their interfaces. Physics and chemistry of ice and carbon materials are of special interest.

As an example, three characteristic configurations of plasmonic NPs in the model photocatalysts are examined in detail: Configuration S1 has metal NPs in contact with the TiO2 films and the reactive environment; In S2, a separation layer of SiO2 isolates NPs from both the TiO2 films and the reactive environment; and in S3, the NPs are in contact with the TiO2 films but not with the reactive environment.

Plasmonics for solar photo catalysis


Photoinduced crystallization of amorphous ice films on Graphite; D. Chakarov and B. Kasemo, Physical Review Letters, 81, 23, 5181-5184 (1998)

Grating formation by metal-nanoparticle-mediated coupling of light into waveguided modes; L. Eurenius, C. Hägglund, B. Kasemo, E. Olsson and Dinko Chakarov, Nature Photonics, 2, 6, 360-364 (2008)

Photodesorption of NO from graphite(0001) surface mediated by silver clusters; K. Wettergren, B. Kasemo and D. Chakarov, Surface Science, 593, 1-3, 235-241 (2005)

Physics with applications

Dinko ChakarovProfessor

MSc Sofia UniversityPhD Bulgarian Academy of Sciences


Our research explores functional bottom-up low-dimensional nanomaterials - with focus on magnetoplasmonics (nanoplasmonics + magnetism), nano-pho-tovoltaics and fundamentals of nano-optics. Low-dimensional means ultra-thin nanostructured layers that are patterned on solid supports. Bottom-up empha-sizes that such nanomaterials are produced by self-assembly nanofabrication, in particular by the method developed at Chalmers - hole-mask colloidal lithogra-phy, HCL.

Particular interest is in nanomaterials that support surface plasmon polaritons (or localized surface plasmons, LSP) - collective oscillations of the charge carriers, induced by the electromagnetic radiation. The excited LSP resonances exist in confined geometries - like fabricated with colloidal lithography nanoarchitec-tures (arrays of nanodisks, nanoellipses, nanocones and many others) - and are characterized by the strong absorption and scattering of the incoming light, along with strongly enhanced electromagnetic fields in the direct proximity of the nanostructures. These features allow to address the fundamentals of light-matter interactions, to design the next generation of solar cells and to drive the studies on optical manipulation of magnetization, to name the few.

Magnetoplasmonic nanoferromagnets (left); plasmon nanoantennas,

absorbing solar light


Plasmonic efficiency enhancement of high performance organic solar cells with a nanostructured rear electrode; B. Niesen, B.P. Rand, P. van Dorpe, D. Cheyns, L. Tong, A. Dmitriev and P. Heremans; Advanced Energy Materials, 2, 145-150 (2013)

Designer magnetoplasmonics with nickel nanoferromagnets; V. Bonanni, S. Bonetti, T. Pakizeh, Z. Pirzadeh, J. Chen, J. Nogués, P. Vavassori, R. Hillenbrand, J. Åkerman and A. Dmitriev; Nano Lett., 11, 5333-5338 (2011)

Enhanced nanoplasmonic optical sensors with reduced substrate effect; A. Dmitriev, C. Hägglund, S. Chen, H. Fredriksson, T. Pakizeh, M. Käll,and D.S. Sutherland; Nano Lett., 8, 3893-3898 (2008)

Functional optical nanomaterials

Alexandre DmitrievAssociate Professor

MSc Rostov State UniversityPhD EPFL, Switzerland / Max Planck In-stitute for Solid State Research, Stuttgart



My research area is modeling of the mechanical behavior of the cyclic behavior of metals. Current research projects deal with modeling of applications such as steel components in the railway industry and superalloy components in gas-tur-bines subjected to thermo-mechanical fatigue loading.

A focus area is the development of macroscopic models for steel that should capture, e.g., the cyclic ratcheting behavior and, for large strains, the evolution of anisotropy. Similar models can be used for superalloys subjected the high temperatures. But in this case we must also consider difficulties such as creep effects and the variation of temperature.

Another focus area is multi-scale models for polycrystalline materials. In this modeling approach we typically model the grains by using crystal plasticity models and then use computational homogenization to obtain the macroscopic response. A specific challenge has been to capture the Hall-Petch effect. This goal has been targeted by developing gradient crystal plasticity models.

Accumulated plastic slip in an idealized polycrystal during

shear loading


Hybrid micro-macromechanical modelling of anisotropy evolution in pearlitic steel; N. Larijani, G. Johansson and M. Ekh; European Journal of Mechanics - A/Solids, 38, 38-47 (2013)

Experiments and modelling of the cyclic behaviour of Haynes 282, R. Brommesson and M. Ekh; Technische Mechanik, 32 (2-5), 130-145 (2012)

Microscopic temperature field prediction during adiabatic loading using gradient extended crystal plasticity; S. Bargmann and M. Ekh; International Journal of Solids and Structures, 50 (6), 899-906 (2013)

Material mechanics

Magnus EkhProfessor



The mechanisms of early bone formation at implant surfaces and the factors influencing the maintenance of bone-implant contact, stability and function are not fully understood. An increased understanding of the signalling during such events is important to obtain a basic understanding of the biological process in addition to the possibilities to facilitate such events.

During recent years, exosomes have obtained extensive interest due to their role in cell-cell communication as well as their potential use as biomarkers and in therapy. Exosomes are small membrane vesicles (~100 nm) of endocytic origin, consisting of a lipid membrane, proteins as well as different types of RNA. Exosomes are regarded as powerful mediators in cell-cell communication due to their ability to shuttle functional RNA and proteins between cells, either in the microenvironment or over a distance, thus regulating other cells.

The aim of our research is to examine the role of exosomes and other extracel-lular vesicles (EVs) in the communication between cells important during bone regeneration and implant healing. Currently, we study exosomes from cells that are involved in inflammation, repair and regeneration (e.g human monocytes and human mesenchymal stem cells (MSCs). We have shown that exosomes take part in the communication between inflammatory cells and MSCs as well in between MSCs. We aim to further evaluate the role of EVs in such events. Furthermore, we aim to investigate the potential use of exosomes to facilitate bone regeneration.

Transmission electron microscopy picture of exosomes, bar 20 nm


Importance of RNA isolation methods for analysis of exosomal RNA: evaluation of different methods; M. Eldh, J. Lötvall, C. Malmhäll, K. Ekström; Mol Immunol. 50(4), 278-86 (2012)

The stimulation of an osteogenic response by classical monocyte activation; O.M. Omar, C. Granéli, K. Ekström, C. Karlsson, A. Johansson, J. Lausmaa, C.L. Wexell, P. Thomsen; Biomaterials. Nov, 32(32), 8190-204 (2011)

Exosome-mediated transfer of mRNAs and microRNAs is a novel mechanism of genetic exchange between cells; H. Valadi, K. Ekström, A. Bossios, M. Sjöstrand, J.J. Lee, J.O. Lötvall; Nat Cell Biol. 9(6), 654-9 (2007)

The role of exosomes and microvesicles in tissue healing and regeneration at the interface

Karin EkströmResearcher

MSc University of GothenburgPhD University of Gothenburg



With the aim to visualize the molecular composition and structure of innovative materials, we develop and apply a new category of microscopy techniques (CARS, SHG, THG, TERS ...) mapping inherent molecular vibrations of poly-mers, biomolecules (lipids, carbohydrates, structural proteins etc.) and metallic nanostructures requiring no artificial labeling. It opens up for unique studies, where molecular distributions and processes can be studied in their natural context without the impact of bulky fluorophores or harsh sample preparations at 100-300 nm resolution and 1 sec intervals. Examples of ongoing studies are (i) controlled formation of hydrophobic domains in recombinant-engineered protein hydrogels in collaboration with the Heilshorn group at Stanford University, (ii) stem cell growth and differentiation in biomimicking materials for replacement tissues and 3D neuronal networks, and (iii) adhesion and interaction of living cells with lipid bilayers.

The principles of CARS microscopy are schematically illustrated in the image: the excitation beams are tightly focused on the sample and form a beating field at a frequency matching that of the target molecule (here illustrated with a triglyceride) inducing a resonantly enhanced vibration. A time series of CARS microscopy images (1 minute interval) of the formation of an elastin-like, recom-binant-engineered protein hydrogel is shown, illustrating the establishment of hydrophobic, elastin-rich domains at 37 deg C incubation (Collaborator: Sarah Heilshorn).

The principles of CARS microscopy and images of a protein-engineered hydrogel


Monitoring of lipid storage in C. elegans using CARS microscopy; T. Hellerer, C. Axäng, C.Brackmann, P. Hillertz, M. Pilon, and A. Enejder, PNAS 104, 14658-14663 (2007)

In situ imaging of collagen synthesis by osteoprogenitor cells in microporous bacterial cellulose scaffolds; C. Brackmann, M. Zaborowska, J. Sundberg. P. Gatenholm and A. Enejder; Tissue Engineering C 18, 227-234 (2012), Image selected for cover page

Sequence-specific crosslinking of electrospun, elastin-like protein preserves bioactivity and native-like mechanics; P.L. Benitez, J.A. Sweet, H. Fink, K. Chennazhy, S.K. Nair, A. Enejder and S.C. Heilshorn; Adv. Healthcare Mat. 2, 114-118 (2013)

Molecular Microscopy

Annika EnejderAssociate Professor

MSc Lund University of TechnologyPhD Lund University


Materials properties vary dramatically with both chemical composition and micro-structure. This situation provides rich opportunities for tailoring materials for spe-cific applications or even developing entirely new functionalities. The abundance of chemical and microstructural parameters is associated with the challenge to discriminate their respective contributions. Materials modeling plays an important part in this regard as it can provide unique insight and understanding.

Modeling complex materials requires calculation and simulation techniques that bridge several orders of length and time scales as well as a combination of quantum and classical mechanics, statistical physics and thermodynamics. In our research we employ density functional theory based methods, classical potentials and lattice Hamiltonians in combination with molecular dynamics and Monte Carlo simulations. We are particularly interested in model construction as a means for bridging length and time scales.

Using these tools we explore the properties of functional oxides, energy ma-terials as well as metallic alloys with an emphasis on the role of defects and interfaces. For example we investigate point defects in transparent conducting oxides, ferroelectrics, and radiation detector materials with regard to electronic and/or optical properties. Furthermore we are involved in research projects concerning interface mediated properties and precipitate formation in functional as well as construction materials.

From electronic structure of energy materials to precipi-

tatation in metallic alloys


First-Principles Calculations of the Urbach Tail in the Optical Absorption Spectra of Silica Glass; B. Sadigh, P. Erhart, D. Åberg, A. Trave, E. Schwegler, and J. Bude; Phys. Rev. Lett. 106, 027401-027404 (2011)

Short-range order and precipitation in Fe-rich Fe-Cr alloys; P. Erhart, A. Caro, M. Caro, and B. Sadigh; Phys. Rev. B 77, 134206-134214 (2008).

Defect-dipole formation in copper-doped PbTiO3 ferroelectrics; R.-A. Eichel, P. Erhart, P. Träskelin, K. Albe, H. Kungl, and M. J. Hoffmann; Phys. Rev. Lett. 100, 095504-095507 (2008).

Electronic and atomic scale modeling of materials

Paul ErhartAssistant Professor

MSc Technische Universität Darmstadt, GermanyPhD Technische Universität Darmstadt, Germany



The group has a long-standing tradition of research on complex oxides with main focus on perovskite and perovskite related compounds. Synthesis and de-velopment of preparative methods, and advanced structural characterisation are key activities. We are experienced in preparing high temperature superconduct-ing cuprates, ferroic and magnetic materials as well as magnetolectric systems.

Today a large part of our effort is devoted to exploring the emerging field of proton- and oxygen ion conducting materials, eventually for use as electrolytes in solid oxide fuel cells. Our aim is to acquire a better understanding of how oxygen and proton content and local order can be linked to the ion conducting properties. This will help us to predict new systems, and act as feedback to the synthesis program.

In-house laboratories include preparative facilities (e.g. solid state sintering, mechanical alloying, solution, sol-gel, microwave and hydrothermal methods), TGA, DSC and x-ray diffractometers for studies of chemical reactions, phase transitions and subtle structural transitions. In addition we are involved in the upgrade of two neutron powder diffractometers at the large-scale facility ISIS, Rutherford Appleton Laboratory, UK, and the design and implementation of a suite of sample environment cells. Unique in-situ studies are performed in the neutron beam to probe e.g. chemical reactions or fuel cell materials and batteries under real working conditions.

An ideal cubic perovskite, space group Pm-3m


Structural disorder in doped zirconia, part I: oxygen vacancy order in Zr0.8(Sc/Y)0.2O1.9 investigated by neutron total scattering and molecular dynamics; S.T. Norberg, I. Ahmed, S.G. Eriksson, S. Hull, D. Marrocchelli, P.A. Madden, L. Peng and J.T.S. Irvine; Chemistry of Materials 23, 1356-1364 (2011)

Oxygen vacancy ordering within anion-deficient Ceria; S. Hull, S.T. Norberg, I. Ahmed, S.G. Eriksson, D. Marrocchelli and P.A. Madden; Journal of Solid State Chemistry 182, 2815-2821 (2009)

Location of deuteron sites in the proton conducting perovskite BaZr0.5In0.5O3-y; I. Ahmed, C. Knee, S.G. Eriksson, M. Karlsson, P.F. Henry, A. Matic, D. Engberg and L. Börjesson; Journal of Alloys and Compounds 450, 103-110 (2009)

Inorganic Materials - focus on complex oxides

Sten ErikssonProfessor

MPhil University of GothenburgPhD University of Gothenburg


My research is concerned with relationships between microstructure and proper-ties of, principally, hard structural materials. The research involves the applica-tion of different scanning and transmission electron microscopy techniques for imaging and microanalysis. The work covers three areas of material’s science: (i) development and stability of nano-microstructure, (ii) toughening and strength-ening mechanisms, and (iii) deformation mechanisms. The development of nano-microstructure under different processing and testing conditions is charac-terized by high resolution imaging and microanalysis, and the results are related to different parameters in the fabrication process and to the behaviour of the material under mechanical and thermal load. A significant part of the research has been concerned with the development of fine-scale microstructure during sintering and crystallisation processes in ceramic and glass-ceramic materials. The mechanical and chemical behaviour of ceramic matrix composites, including nanocomposite materials, has been investigated, and the role of the internal interfaces in these materials has been addressed. My current research interest also includes the structure and properties of polycrystalline cubic boron nitride materials and cemented carbides for cutting tool applications.

The residual intergranular glassy phase in a silicon nitride ceramic


Imaging and Microanalysis of Liquid Phase Sintered Silicon-Based Ceramic Microstructures; L.K.L. Falk; J. Mater. Sci., 39, 6655-6673 (2004)

Development of Microstructure during Creep of Polycrystalline Mullite and a Mullite 5 vol% SiC Nanocomposite; S. Gustafsson, L.K.L. Falk, J.E. Pitchford, W.J. Clegg, E. Lidén and E. Carlström; J. Eur. Ceram. Soc., 29, 539-550 (2009)

Effect of Composition on Crystallisation of Y/Yb-Si-Al-O-N B-Phase Glasses; Y. Menke, L.K.L. Falk and S. Hampshire; J. Am. Ceram. Soc., 90, [5], 1566-1573 (2007)

Microstructures of Inorganic Materials

Lena K. L. FalkProfessor




I hold the view that my goal as a chemist in Industrial Materials recycling is to “create new chemical processes for the recycling of that which is currently impossible (or difficult) to recycle”. An important part of my work is to devise methods of recycling “difficult” materials without causing a loss of quality of the material being recycled.

The substances which I am interested in the recycling of include metals; pre-cious metals (silver, gold and platinum group metals), base metals such as nickel, rare metals such as the lanthanides and radioactive metals such as americium.

I also have an interest in the recycling of organic compounds (such as polymers) and non-metals such as chlorine, bromine and other main group elements. In ad-dition to the recycling work I have an interest in the decontamination of waste to allow its cheap disposal while safeguarding human health and the environment.

I am also involved in the Nuclear Chemistry section where I have an interest in a range of topics including the chemistry of serious reactor accidents, the organic chemistry of low and intermediate level wastes (Mainly isosaccharinic acids) and in advanced separations.

I define nuclear chemistry as the chemistry associated with the nuclear fuel cycle, nuclear reactor operation, environmental radioactivity, radioactive waste, radiopharmaceuticals and other radioactive / nuclear technologies. My nucle-ar interests tend to be at the interface of this area with organic and inorganic chemistry.

A uranium complex of a BTBP, this complex relates

to the recycling of metals


Hydrogenation catalysts from used nickel metal hydride batteries, M.R.S.J. Foreman, C. Ekberg and A.O. Jensen, Green Chemistry 10, 825-826 (2008)

Demonstration of a SANEX Process in Centrifugal Contactors using the CyMe4-BTBP Molecule on a Genuine Fuel Solution, D. Magnusson, B. Christiansen, M.R.S. Foreman, A. Geist, J.-P. Glatz, R. Malmbeck, G. Modolo, D. Serrano-Purroy and C. Sorel; Solvent Extraction and Ion Exchange 27, 97-106 (2009)

Synthesis, structure, and redox states of homoleptic d-block metal complexes with bis-1,2,4-triazin-3-yl-pyridine and 1,2,4-triazin-3-yl-bipyridine extractants, M.G.B. Drew, M.R.S. Foreman, A. Geist, M.J. Hudson, F. Marken, V. Norman and M. Weigl; Polyhedron, 25, 888-900 (2006)

Industrial Materials Recycling and Nuclear Chemistry

Mark ForemanAssociate Professor

BSc ARCS London Imperial CollegePhD Loughborough University


Biomimetic design requires an understanding of structure-property relation-ships at all length scales. The major interest is biomechanical behavior and cell response investigated by NMR.

Structure and unique properties of biological materials such as bone, wood, cartilage, jelly-fish, and shells are the objects of my studies. In my research I use the principles of biomimetic design for the preparation of new materials using renewable building blocks. That includes biological fabrication through the use of enzymes, cells, and the coordination of biological systems. I am particularly interested in designing and preparing new biomaterials which can replace or regenerate tissue and organs and have been working closely with cardiovascular surgeons to develop technology for the production of small calibre blood vessels. We use bacteria to spin nanocellulose fibrils which are assembled into robust biocompatible materials. The bacterial cellulose blood vessel project is currently undergoing translation for clinical application. Collaboration with orthopaedic surgeons to develop scaffolds to grow cartilage, meniscus and bone is an ad-ditional aspect of the research. Recent projects involve transformation of wood based polymers such as hemicelluloses, cellulose and lignin into new generation of sustainable materials.

Nanocellulose biomaterial biosynthesized by bottom up

fabrication process


Cobalt (II) Chloride Promoted Formation of Honeycomb Patterned Cellulose Acetate Films; O. Naboka, A. Sanz-Velasco, P. Lundgren, P. Enoksson and P. Gatenholm; Journal of Colloid and Interface Science, 367(1), 485-93 (2012)

Flexible Oxygen Barrier Films from Spruce Xylan, M. Escalante, A. Goncalves, A. Bodin, A. Stepan, C. Sandström, G. Toriz and P. Gatenholm; Carbohydrate Polymers, 87, 4, 2381-2387 (2012)

In situ imaging of collagen synthesis by osteoprogenitor cells in microporous bacterial cellulose scaffolds; C. Brackmann, M. Zaborowska, J. Sundberg, A. Enejder and P. Gatenholm, Tissue Engineering, Part C, 18, 3, 227-234 (2012)

Structure property relationship in biopolymer based materials

Paul GatenholmProfessor

BSc, Stockholm UniversityPhD, Chalmers University of Technology



We continuously seek innovative solutions within applications of different pro-cesses and materials in electro-technical industry, where material characteriza-tions, simulations, technology and measurements are in focus. Three main areas dominate our activities today, which include (i) applications of polymeric materials for insulation of high voltage apparatuses, especially for DC and high frequency stressed systems, (ii) simulations of electro-physical phenomena in dielectric and magnetic materials, as well as (iii) development of diagnostic measuring technologies for assessment of insulation state for prediction of its life time. Scientific and engineering problems are approached by combined experimen-tal and theoretical methods and the research tasks are solved in a strong and multidisciplinary environment, including cooperation with other academic groups, with professional organizations like CIGRE and IEEE and with industrial partners in Sweden and internationally. Especially successful have been our contribu-tions related to the applications of polymeric materials in outdoor environments and on the development of insulation diagnostics based on dielectric response measurements in frequency domain. In continuation, an area of special interest is in developing polymeric materials that can stand higher operating stresses for optimizing design of cable insulation. New solutions where the desired properties can be achieved include polymeric materials containing nano-fillers and voltage stabilizers.

Electric trees grown around a wire electrode in crosslinked polyethylene


Effects of long term corona and humidity exposure of silicone rubber based housing materials; M. Bi, S.M. Gubanski, H. Hillborg, J.M. Seifert and B. Ma; Electra, 267, 4-15 (2013)

Dielectric Properties of Transformer Oils for HVDC Applications; L. Yang, S.M. Gubanski, Y.V. Serdyuk and J. Schiessling; IEEE Trans. on Diel. and El. Ins, 19, 1926-1933 (2012)

Influence of Biofilm Contamination on Electrical Performance of Silicone Rubber Based Composite Materials; J. Wang, S.M. Gubanski, J. Blennow, S. Atarijabarzadeh, E. Strömberg and S. Karlsson; IEEE Trans. on Diel. and El. Ins, 19, 1690-1699 (2012)

High Voltage Engineering

Stanislaw GubanskiProfessor

MSc Technical University of WroclawPhD Technical University of Wroclaw


High-entropy alloys (HEAs), or multi-component alloys with equiatomic or close-to equiatomic compositions, emerge as a new type of advanced metallic materi-als, and have received increasing attentions from the materials community. HEAs possess some excellent mechanical and physical properties, and they have great potential to be used as high temperature materials, or coating materials requiring high hardness and high wear resistance.

My research interests are on the phase stability and mechanical behavior of HEAs. First, I aim at establishing physical metallurgy principles to control the solid solutions, intermetallic compounds or the amorphous phase formation in HEAs, simply from adjusting the alloy compositions. In terms of the solid solutions, a refined prediction on the fcc (face centered cubic) type or bcc (body centered cubic) type solid solutions is necessitated, as they significantly determine the mechanical properties of HEAs. It is also my intention to reveal the metastability of solid solutions in HEAs, combining both thermomechanical treatments and thermodynamic calculations.

Second, the simultaneous achievement of high strength and high ductility, particular at tension, is still a challenge for HEAs. One target of my research is to develop highly strong and ductile HEAs with suitable phase constitutions and microstructures, via the compositional optimization based on the above men-tioned physical metallurgy principles.

Some HEAs possess better high-temperature performance than

commercial superalloys


Anomalous solidification microstructure in Co-free AlxCrCuFeNi2 high-entropy alloys; S. Guo, C. Ng, C.T. Liu; Journal of Alloys and Compounds, 557, 77-81 (2013)

Entropy-driven phase stability and slow diffusion kinetics in an Al0.5CoCrCuFeNi high entropy alloy; C. Ng, S. Guo, J.H. Luan, S. Shi and C.T. Liu; Intermetallics, 31, 165-172 (2012)

Effect of valence electron concentration on stability of fcc or bcc phase in high entropy alloys; S. Guo, C. Ng, J. Lu, et al.; Journal of Applied Physics, 109,103505 (2011)

High-entropy Alloys

Sheng GuoAssistant Professor

MEng Central South UniversityPhD Oxford University



My research activities focuses on environmental catalysis, and more specifical-ly on lean NOx reduction, focusing on diesel- and lean-burn applications and alternatively fuelled vehicles. In catalysis research, fundamental knowledge about the chemical reactions occurring on the catalyst surface is a prerequisite for development of new and efficient catalyst materials and concepts. In particular design and preparation of catalysts as well as characterization and evaluation of these materials, including in-situ studies of reaction mechanisms and formation of surface bound intermediate species, have been performed.

Recently, I have also started activities directed towards NOx reduction for ships, which is an emerging field owing to upcoming international legislations. My vision is to work with environmental catalysis for energy efficient transportation, like bio-powered vehicles and ships. Both applications offer interesting and new scientific challenges. Urea-SCR is currently used by a few Swedish ship owners; however, the research has been restricted to stationary applications and vehicles, which has very different boundary conditions. Concerning bio-powered vehi-cles, the types of emissions and the conditions for e.g. NOx reduction puts new demands on the catalytic system.

In-situ IR spectroscopy to follow reaction mechanisms

over catalyst surfaces


Influence of carbon-carbon bond order and silver loading on the gas phase oxidation products and surface species in absence and presence of NOx over silver-alumina catalysts; H. Härelind, F. Gunnarsson, S.M. Sharif Vaghefi, M. Skoglundh and P.-A. Carlsson; ACS Catal. 2, 1615-1623 (2012)

Influence of ageing, silver loading and type of reducing agent on the lean NOx reduction over Ag-Al2O3 catalysts; F. Gunnarsson, J.-Y. Zheng, H. Kannisto, C. Cid, A. Lindholm, M. Mihl, M. Skoglundh and H. Härelind; Topics Catal. 56, 416-420 (2013)

Effect of silver loading on the lean NOx reduction with methanol over Ag-Al2O3; M. Männikkö, M. Skoglundh and H. Härelind; Topics Catal. 56, 145-150 (2013).

Lean NOx reduction

1480

1460

1440

1420

1400

1380

1360

Wav

enum

ber (

cm-1

)

1801501209060

Time (min)

Acetates

Formates

Hanna HärelindAssociate Professor

PhD Chalmers University of TechnologyLic. Eng. Chalmers University of Tech-nology


My long-term goal is to find new or improved ways of how to produce and utilize energy without severely affecting the environment. Research fields that I am working in include surface science, heterogeneous catalysis and materials for energy applications.

Recent research projects have focused on various oxidation processes. This includes complete and partial oxidation of gas-phase methane, which has implications for environmental protection and fuel production. Similar motivations apply for the photoelectrochemistry of methanol- and water-oxidation, were removal of organic material in waste-water and sustainable hydrogen production are long-term goals.

I use several different computational methods, such as, density functional theory calculations, molecular dynamics, Monte-Carlo techniques, and micro-kinetic models. These multiscale methods allow a transfer our understanding of the different processes involved at the atomic level to the realm of our macroscopic world. For instance, the activation of gas-phase reactants on surfaces can be directly linked to the actual output of a catalyst.

Methan oxidation studied both by experiment and theory


Mechanism for reversed photoemission core-level shifts of oxidized Ag; H. Grönbeck, S. Klacar, N.M. Martin, A. Hellman, E. Lundgren, and J.N. Andersen; Phys. Rev. B 85, 115445-115450 (2012)

The Active Phase of Palladium during Methane Oxidation; A. Hellman, A. Resta, N.M. Martin, J. Gustafson, A. Trinchero, P.-A. Carlsson, O. Balmes, R. Felici, R. van Rijn, J. Frenken, J.N. Andersen, E. Lundgren, and H. Grönbeck; J. Phys. Chem. Lett. 3, 678-682 (2012)

A First-Principles Study of Photo-Induced Water-Splitting on Fe2O3; A. Hellman and R.G.S. Pala; J. Phys. Chem. C, 115 (26), 12901-12907 (2011)

Use of computational methods to find sustainable ways to produce and utilize energy

Anders HellmanAssociate Professor

MSc Linköping UniversityPhD University of Gothenburg



My research is focused on microstructure design of soft materials to tailor properties such as mass transport and rheological behaviour. This is on of the cornerstones of the SOFT Microscopy Centre as well as the VINN EXcellence Centre SuMo biomaterials. The main model systems are single and composite physical gels of proteins and polysaccharides where the structure can be tailored by the kinetic balance of the mechanisms involved. This requires structure control over a wide range of length scales as well as time scales. Combinations of microscopy techniques are being used from high-resolution transmission electron microscopy to state of the art confocal laser scanning microscopy. New techniques are being developed for 3D reconstruction as well as microscopy of transient phenomena under dynamic conditions. Examples of model systems are beta-lactoglobulin, pectin, gelatine, carrageenan, gels as well as composite gels of proteins and polysaccharides. On- going PhD and post.doc projects deals with effect of confinements on structure rearrangements, effects of heterogeneity and structure obstruction on diffusion and flow due to, in-situ measurements of structure formation and break-down and 3-D reconstructions. Main collaborators are Eva Olsson, Niklas Lorén, Anna Ström, Stefan Gustafsson and Mats Stading at Chalmers and SIK-The Swedish Institute for Food and Biotechnology.

Structure design of interface and interior of protein capsule


Effects of confinement on phase separation kinetics and final morphology of whey protein isolate-gellan gum mixtures; S. Wassén, N. Lorén, K. van Bemmel, E. Schuster, E.Rondeau and A.M. Hermansson; Soft Matter 9, 2738-2749 (2013)

Probe diffusion in kappa-carrageenan gels determined by fluorescence recovery after bleaching; J. Hagman, N. Lorén, A.M. Hermansson; Food Hydrocolloids 29,106-1115 (2012)

Surface directed structure formation of bet-lactoglobulin inside droplets; C. Öhgren, N. Lorén, A. Altskär and A.M. Hermansson; Biomacromolecules 12, 2235-2242 (2011)

Microstructure design of soft materials

Anne-Marie HermanssonProfessor

MSc Chalmers University of TechnologyPhD Lund University


Our group has a long tradition of studying amphiliphilic compounds. In recent years the focus has been on cleavable surfactants, gemini surfactants and sur-factants based on amino acids as polar headgroup. We carry out synthesis of the surfactants and we study their self-assembly both in solution and at interfaces. We also explore amphiphilic silica nanoparticles as stabilizers for emulsions. Much of the work is performed in collaboration with other research groups and with companies.

We synthesize mesoporous materials and use these as hosts for homogeneous catalysts, both metal-organic complexes and enzymes. The metal organic complexes, for instance rhodium complexes, have been used for performing carbon-carbon coupling reactions. The enzymatic work has a focus on lipases. We have studied the influence of pore size, size of the mesoporous particles and pH on the function of lipases immobilized into the pores.

In a project directed towards controlled delivery of biocides into chronical wounds we investigate the action of peptidases on layer-by-layer structures made from oppositely charged polypeptides. Enzymatic degradation of the layer leads to release of the active substance into the wound.

Immobilization of lipase into the pores of ordered

mesoporous silica


Cationic ester-containing gemini surfactants: Determination of aggregation numbers by time-resolved fluorescence quenching; A.R. Tehrani-Bagha, J. Kärnbratt, J.-E. Löfroth and K. Holmberg; J. Colloid Interface Sci. 376, 126-132 (2012)

Immobilization of lipase from Mucor miehei and Rhizopus oryzae into mesoporous silica-The effect of varied particle size and morphology; H. Gustafsson, E.M. Johansson, A. Barrabino, M. Odén, K. Holmberg; Colloids Surfaces B 100, 22-30 (2012)

Polypeptide multilayer self-assembly and enzymatic degradation on tailored gold surfaces studied by QCM-D; M. Craig, R. Bordes and K. Holmberg; Soft Matter 8, 4788-4794 (2012)

Surfactants and biomolecules at interfaces

Krister HolmbergProfessor




The long term vision of our research is to contribute to translational life-science research and educational activities engaging several departments at Chalm-ers, University of Gothenburg as well as regional companies, institutes and technology transfer initiatives. At the heart of our activities is our tradition to contribute to biointerface and biomaterial research by developing and applying surface-sensitive tools, such as quartz crystal microbalance with dissipation (QCM-D), ellipsometry, surface plasmon resonance (SPR), nanoplasmonics as well as bioimaging using total internal reflection fluorescence (TIRF) and time of flight secondary ion mass spectrometry (TOF SIMS). By combining these concepts with advanced microfluidics and novel surface chemistries it is our ambition to address important needs and scientific questions identified together with biologists, chemists and medical doctors as well as life-science compa-nies. A common denominator in this work is the use of cell-membrane mimics and knowledge about lipid self-assembly, which is used to gain new insights about intermolecular interaction kinetics of importance in medical diagnostics, drug screening, drug delivery as well as vaccination, tissue engineering and nano-safety. In this way, we hope to contribute novel methods, materials and the-oretical approaches based on a unique position at the border between applied physics, material science, nano-science, electrical/chemical engineering, (bio)chemistry, biology and medicine.

Detection of the action of a single ezyme in cerebrospinal fluid


Time-Resolved Surface-Enhanced Ellipsometric Contrast Imaging for Label-Free Analysis of Biomolecular Recognition Reactions on Glycolipid Domains; A. Gunnarsson, M. Bally, P. Jonsson, N. Medard and F. Höök; Analytical Chemistry. 84(15), 6538-45 (2012)

Continuous Lipid Bilayers Derived from Cell Membranes for Spatial Molecular Manipulation; L. Simonsson, A. Gunnarsson, P. Wallin, P. Jonsson and F. Höök; Journal of the American Chemical Society 133, 14027-14032 (2011)

Norovirus GII.4 Virus-like Particles Recognize Galactosylceramides in Domains of Planar Supported Lipid Bilayers; M. Bally, G.E. Rydell, R. Zahn, W. Nasir, C. Eggeling, M.E. Breimer, L. Svensson, F. Höök and G. Larson; Angewandte Chemie Int Edit 51(48), 12020-12024 (2012)

Small-scale sensors and cell-membrane manipulation for life science applications

Fredrik HöökProfessor



Computational theory of condensed matter faces a sparse-matter challenge. There is a clear need to develop and deepen our quantum-physical insight on the binding in regions with low electron and atom densities, sparse regions where the ubiquitous van der Waals (vdW) forces contribute significantly to co-hesion and function. Sparse-matter problems are generic, with examples ranging from nanostructured materials, over important surface-science phenomena, and to the very broad set of soft-matter and biomolecular systems.

My research focuses on developments of the formally exact density functional theory (DFT) to more accurately describe sparse materials, primarily through our contributions to the internationally recognized van der Waals density function-al (vdW-DF) method [http://fy.chalmers.se/~schroder/vdWDF]. Additional research components involve development of a nonempirical thermodynamical account of nucleation and growth, as well as of a computational basis for investi-gating interacting tunneling transport.

My research group is also successfully applying the vdW-DF method and other nonempirical methods to a broad range of surfaces, (molecular) overlayer, and to simple (bio-)molecular systems [http://fy.chalmers.se/~hyldgaar/SNIC/]. My research focus is pursued in a broad international program and offers exciting chances for a detailed for comparison with experiments. In turn the theory-exper-iment calibration work defines important input for the method development.

Role of van der Waals forces in materials: from surfaces to

carbon-based systems


Do two-dimensional “Noble Gas Atoms” Produce Molecular Honeycombs at a Metal Surface; J. Wyrick, D.-H. Kim, D. Sun, Z .Cheng, W. Lu, Y. Zhu, K. Berland, Y.S. Kim, E. Rotenberg, M. Luo, P. Hyldgaard, T.L. Einstein and L. Bartels; Nano Letters 11, 2944-2948 (2011)

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, universal density functional description, and nature of forces; P. Hyldgaard; J. Phys.:Condens. Matter 24, 424219 (2012)

van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond; T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P. Hyldgaard, and D. C. Langreth; Physical Review B 76, 125112-125123 (2007)

Theory of materials binding and function

Per HyldgaardProfessor

MSc University of CopenhagenPhD Ohio State University



Technology is always limited by the materials available - a very important insight if we want to achieve sustainable energy technologies for society development in the 21st Century and beyond.

Particular focus is on materials for next generation batteries - beyond re-charge-able Li-ion batteries and their limitations in terms of performance, sustainability and safety. Two examples are Li-air and Li-sulphur batteries, which have a promise of up to x10 capacity and thus a potential to revolutionize energy storage, not the least needed for xEVs and electromobility. The most pertinent question is the capacity fading and we use model systems to decipher the exact origins.

Other examples of our NGBs are e.g Na-ion batteries, High temperature Li-bat-teries, and Structural batteries. In addition, we also address fundamental issues of the prevailing Li-ion battery technology, we develop new more stable anions/salts, often fluorine-free, and/or make use of ionic liquids to enable safer electrolytes.

These efforts are run alongside more industry oriented projects towards e.g. extending the life-time of PEM fuel cell membranes, creating safer Li-ion batteries via tailored additives, development of failure consequence analysis methods, life-cycle assessment of employing new materials etc.

We primarily connect molecular level analysis with macro-level observations for rational materials and concept improvement, all in national and international net-works and together with Swedish and European industry.

Next Generation Batteries


Novel pseudo-delocalized anions for lithium battery electrolytes; E. Jónsson, M. Armand and P. Johansson; Physical Chemistry Chemical Physics 14, 6021-6025 (2012)

Infrared spectroscopy of instantaneous decomposition products of LiPF6-based lithium battery electrolytes; S. Wilken, P. Johansson and P. Jacobsson; Solid State Ionics 225, 608-610 (2012)

Li-O2 Battery Degradation by Lithium Peroxide (Li2O2): A Model Study; R. Younesi, M. Hahlin, F. Björefors, P. Johansson and K. Edström; Chemistry of Materials 25, 77-84 (2013)

Next Generation Batteries (NGB)

Patrik JohanssonProfessor

BSc Uppsala UniversityPhD Uppsala University


The complex oxides embody a broad range of materials with the same charac-teristic perovskite crystal structure, ABO3, where A and B are usually alkaline and transition metals, respectively. They exhibit a rich variety of crystallographic, electronic and magnetic phases and are hosts of new important phenomena, including high-temperature superconductivity, colossal magnetoresistance, multi-ferroic behavior, and many others. They often called ñfunctional oxidesî, because their properties can be tuned by chemical doping, pressure, electric or magnetic field without changing the crystal structure.

Our research is centered around polar oxide interfaces which are becoming a “building block” of oxide electronics. We fabricate various oxide thin films and interfaces of insulating, metallic, superconducting, ferroelectric and ferromag-netic materials. Films are grown by pulsed laser deposition with in-situ electron diffraction that allows for layer-by-layer atomic growth.

We are mainly interested in correlation between the microstructure of the interfaces on the atomic level and their functional electrical properties. We use various methods to characterize them for field effect, magneto-resistance, photo and cathode luminescence, photo-induced charge carriers injection, and super-conductivity. Nanofabrication methods have also been developed using atomic force microscopy lithography and electron-beam lithography.

Polar interface between LaAlO3 and SrTiO3 perovskite oxides


Effect of oxygen vacancies in the SrTiO3 substrate on the electrical properties of the LaAlO3/SrTiO3 interface; A. Kalabukhov, R.Gunnarsson, J.Börjesson, E.Olsson, T. Claeson and D. Winkler, Phys. Rev. B 75, 121404-121408(R) (2007)

Cationic Disorder and Phase Segregation in LaAlO3/SrTiO3 Heterointerfaces Evidenced by Medium-Energy Ion Spectroscopy; A. Kalabukhov, Yu. Boikov, I. Serenkov, V. Sakharov, V. Popok, R.Gunnarsson, J.Börjesson, E.Olsson, N. Ljustina, T. Claeson and D. Winkler; Phys. Rev. Lett. 103, 146101-146105 (2009)

Nano-patterning of the electron gas at the LaAlO3/SrTiO3 interface using low-energy ion beam irradiation; P.P. Aurino, A. Kalabukhov, N. Tuzla, E. Olsson, D. Winkler, and T. Claeson; Appl. Phys. Lett., 102, 201610-201614 (2013)

Physics of functional oxide films and heterostructures

Alexey KalabukhovAssociate Professor

MSc Moscow State UniversityPhD Moscow State University



My research group focuses on investigations of key fundamental properties of functional - mostly energy relevant - oxides. In addition to our expertise and traditional focus on proton conducting oxides, which show potential for next-generation intermediate temperature fuel cells, we are studying phosphors for use in solid state lighting, and most recently different types of oxides with magnetic properties. A unifying theme is to investigate the mechanistic as-pects of structural defects and dynamical excitations (phonons, local vibrational modes, diffusional motions) on the atomic length scale, and to correlate those elementary materials properties to the functional, macroscopic, properties of the materials. The primary tools to this end involve the use of neutron and synchro-tron x-ray scattering techniques (diffraction, absorption, reflectivity, inelastic and quasielastic methods) and light spectroscopy (Raman and infrared), often combined with complementary experimental techniques and theoretical modeling in collaboration with our research colleagues. We are therefore frequent users of instruments available at neutron and synchrotron sources around the world and to some extent also involved in the development of such methods.

Schematic picture of proton dynamics in a proton conducting

perovskite type oxide


Perspectives of Neutron Scattering on Proton Conducting Oxides; M. Karlsson; Dalton Transactions 42, 317-329 (2013)

Polarized Neutron Laue Diffraction on a Crystal Containing Dynamically Polarized Proton Spins; F.M. Piegsa, M. Karlsson, B. van den Brandt, C.J. Carlile, E.M. Forgan, P. Hautle, J.A. Konter, G.J. McIntyre and O. Zimmer; Journal of Applied Crystallography 13, 30-34 (2013)

Using Neutron Spin-Echo to Investigate Proton Dynamics in Proton-Conducting Perovskites; M. Karlsson, D. Engberg, M.E. Björketun, A. Matic, G. Wahnström, P. G. Sundell, P. Berastegui, I. Ahmed, P. Falus, B. Farago, L. Börjesson and S. G. Eriksson; Chemistry of Materials 22, 740-742 (2010)

Structure and dynamics in functional oxides

Maths KarlssonAssistant Professor

MSc Uppsala UniversityPhD Chalmers University of Technology


To understand a materialÍs structure, how that structure determines its proper-ties, and how that material will subsequently work in technological applications, we apply analytical electron microscopy (SEM, TEM) in combination with com-plementary techniques such as XRD, AES, XPS, DSC/TGA, etc.

Particular focus is put on the development and characterization of different types of nanocrystalline and sub-microcrystalline materials (metallic, ceramic, and hybrids in a variety of sample forms) for functional applications. Corrosion- and wear resistance coatings as well as energy absorbing materials typically pro-duced by electroplating, thermal spray techniques, and mechanical alloying are investigated and optimized with respect to phase formation and texture, thermal stability, adhesion, etc. However, also structural materials like superalloys and advanced steels are investigated to improve their production and/or application.

Within the scope of the Metal Cutting Research and Development Centre (MCR), materials characterization is applied to investigate processes occurring during machining, e.g. microstructure influences on machinability of case harden-ing steel and white layer formation in hard turning. Aim is to achieve robust and predictable manufacturing processes, lower energy and materials consumption, and reduced environmental impact.

EBSD orientation map of an annealed sub-microcrystalline

Nickel electrodeposit


Thermal stability of electrodeposited nanocrystalline Co - 1.1 at.% P; P. Pa-Choi, M. da Silva, U. Klement, T. Al-Kassab and R. Kirchheim; Acta Mater. 53, 4473-4481 (2005).

Characterization and dielectric properties of beta-SiC nanofibres; Y. Yao, A. Jänis and U. Klement; Journal of Materials Science 43, 1094-1101 (2008).

Characterization of the Surface Integrity induced by Hard Turning of Bainitic and Martensitic AISI 52100 Steel; S.B. Hosseini, K. Ryttberg, J. Kaminski and U. Klement; Procedia CIRP 1, 494-499 (2012).

Materials Characterization/Nanomaterials

Uta KlementProfessor

Diploma in physics, University of Göt-tingenDr. rer. nat., University of Göttingen



We are daily using a variety of polymers like biodegradable polymers, polysaccha-rides and in particular cellulose and cellulose derivatives in pharmaceuticals, me-dicinal devices and consumer products. My research focuses on polymers and how one can use them in films, gels or nanoparticles to tune the release rate of different substances or drugs. My vision is that by starting from the molecular structures one can control the microstructure and thus the mass transport through the material. We have for example shown that the drug release rate from hydrophilic matrix tablets not only depends on the molar mass and the degree of substitution, but also on the substitution pattern along the cellulose chain. A more heterogeneous substitution pattern along the chain gave raise to stronger interactions between the chains and thus more shear resistant gels, slower erosion and drug release rates. By applying this knowledge, this will result in better reproducibility of drug release rates from hydrophilic matrix tablets and safer medicines. This understanding is also essential for a more efficient design of oral controlled release formulations which will take new products faster to the market and the patients.

Other examples of the relationship between the molecular structure, microstructure and mass transport are that we can: (i) change the molecular weight and tune the phase separation and film formation process of cellulose derivate films for controlled release; (ii) surface modify nanocrystalline cellulose, NCC, and thus control the distribution of NCC , the mechanical and mass transport properties of the biodegrad-able films or (iii) use water-in-oil emulsions to control porosity and pore interconnec-tivity in biodegradable foams.

SEM image of the surface of a biodegradable PHB foam


The effect of chemical heterogeneity of HPMC on polymer release from matrix tablets; A. Viridén, B. Wittgren, T. Andersson and A. Larsson; European J Pharm Sci 36, 392-400 (2009)

Design and characterization of a novel amphiphilic chitosan nanocapsule-based thermo-gelling biogel with sustained in vivo release of the hydrophilic anti-epilepsy drug ethosuximide; M.-H. Hsiao, M. Larsson, A. Larsson, H. Evenbratt, Y.-Y. Chen, Y.-Y. Chen and D.-M. Liu; Journal of Controlled Rel. 161(3), 942-948 (2012)

A mechanistic modelling approach to polymer dissolution using magnetic resonance microimaging; E. Kaunisto, S. Abrahmsen-Alami, P. Borgquist, A. Larsson, B. Nilsson and A. Axelsson; J Controlled Rel, 147, 232-241 (2010)

Design of new polymer materials for controlled release

Anette LarssonProfessor

Ms Chalmers University of TechnologyPhD Chalmers University of Technology


A major focus for our contribution to the platform “theory and modeling” has been related to the analysis of the mechanical properties of graphene mem-branes using a hierarchical modeling strategy to bridge the scales required to describe and understand the material. The fundamental research issue is how to properly relate Quantum Mechanical (QM) and optimized Molecular Mechanical (MM) models on the nanoscale to the device or micrometer scale, via a suitable multiscale continuum mechanical method.

Reaction AFM force versus center membrane displacement


Atomistic continuum modeling of graphene membranes; R. Larsson and K. Samadikhah; Comput. Mater. Sci., 50, 1744-1753, (2011)

Continuummolecular modelling of Graphene; K. Samadikhah, R. Larsson, F. Bazooyar and K. Bolton; Comput. Mater. Sci., 53 (1), 37-43 (2011)

Computational continuum-atomistic modeling

Ragnar LarssonProfessor

PhD Chalmers University of TechnologyTekn. Lic. Chalmers University of Tech-nology



The focus is on development of new thermal management materials and solutions with emphasis on 3D CNT integration, CNT and graphene based heat dissipation, bumping technology, nano thermal interface materials, nano-sol-dering, high temperature stable conductive adhesives, scaffolds and pattern-ing for biomedical applications. Johan Liu is currently involved in research in thermo-electrical materials development and characterisation funded by the Swedish National Science Foundation program (VR) for on-chip cooling, by SSF within the material for energy program for energy harvesting and EU programs “Smartpower”, “Nanotherm”, “Nano-RF”, ”NanoTIM” and “Nanocom”, In addition to this, he is funded by the National Swedish strategic research area in Production: “Area of Advance Production” and a number of large companies including Sony Mobile Communications, Saab Defence Systems, Micronic-Mydata on pasive cooling using thermal interface material, CNT based 3D integration, cooling and interconnect technology. His group has a size of 2 professors, 1 adjunct profes-sor, 1 associate professor, 1 postdoc and 7 Ph D students. His research high-lights: Pioneer in research on nano-thermal interface materials, CNT based 3 D stacking and cooler, graphene as heat spreader, patterning of nano-scaffolds on Si and glass substrate for biomedical applications, nanomaterials enhanced solder paste and conductive adhesives.

Mass transfer of CNTs on Si Substrate using Indium after

TCVD growth


Ultrafast Transfer of Metal Enhanced Carbon Nanotubes at Low Temperature for Large Scale Electronics Assembly; Y. Fu, Y. Qin, T. Wang, S. Chen and J. Liu; Advanced Materials 22 (44), 5039-5042 (2010)

Organic Thin Film Transistors with Anodized Gate Dielectric Patterned by Self-Aligned Embossing on Flexible Substrates; Y. Qin, D.H. Turkenburg, I. Barbu, W.T.T. Smaal, K. Myny, W.-Y. Lin, G.H. Gelinck, P. Heremans, J. Liu and E.R. Meinders; Advanced Functional Materials 22 (6), 1209-1214 (2012)

Templated Growth of Covalently Bonded Three-Dimensional Carbon Nanotube Networks Originated from Graphene; Y. Fu, B. Carlberg, N. Lindahl, N. Lindvall, J. Bielecki, A. Matic, Y. Song, Z. Hu, Z. Lai, L. Ye, J. Sun, Y. Zhang, Y. Zhang and J. Liu; Advanced Materials 24 (12), 1576- 1581(2012)

Manufacturing and characterisation of nanomaterials and processes for thermal management in microelectronics and microsystems

Johan LiuProfessor

MSc Royal Institue of TechnologyPhD Royal Institute of Technology


Our research aims at understanding structural and dynamical properties in ionic liquid derived materials. These include ionogels (i.e. ionic liquids nano-confined into networks of silica), water/ionic liquid binary systems, and emulsion liquid membranes. Altogether these materials find applications in chemical processes with relevance to the issue of environmental impact and sustainable energy supply. Concrete examples of applications are in the proton exchange membrane fuel cell, or the extraction of heavy metals from wastewater. The experimental techniques that we use comprehend vibrational spectroscopy (Raman and infrared), small angle x-ray scattering (SAXS), and pulse field gradient magnet-ic resonance spectroscopy (PFG NMR), by which the space- and time-scales of relevance can be accessed. I have also developed a cell for in situ confocal μ-Raman measurements on proton exchange membranes during H2/O2 Fuel Cell operation. Our work is partly driven in collaboration with the Department of Applied Physics at Chalmers and the National Polytechnic Institute (INP) at Grenoble (France).

An ionogel with 0.1 mole fraction of ionic liquid


Insights into the interplay between molecular structure and diffusional motion in 1-alkyl-3-methylimidazolium ionic liquids: A combined PFG NMR and X-ray scattering study; A. Martinelli, M. Maréchal, Å. Östlund and J. Cambedouzou; Physical Chemistry Chemical Physics 15 (15), 5510-5517 (2013)

An investigation of the sol-gel process in ionic liquid-silica gels by time resolved Raman and 1H NMR spectroscopy; A. Martinelli and L. Nordstierna; Physical Chemistry Chemical Physics 14 (38), 13216-13223 (2012)

Concentration effects on irreversible colloid cluster aggregation and gelation of silica dispersions; A. Schantz-Zackrisson, A. Martinelli, A. Matic and J. Bergenholtz;Journal of Colloid and Interface Science 301 (1), 137-144 (2006)

Ionic liquid derived materials

N

+N

N-S S

O

O

O

O

F

FF

F

FF

Anna MartinelliAssistant Professor

MSc Växjö UniversityPhD Chalmers University of Technology



Soft materials such as liquids, polymers, colloids, and gels are central in many technological applications. They also pose a range of fundamental challenges questions arising from the combination of disordered structure, out of equilibri-um states, multitudes of length/time scales and weak interactions. My research covers studies of fundamental aspects of soft matter and new soft materials for energy applications. The work includes investigations of non-equilibrium transi-tions, such as the glass transition and colloidal aggregation, charge and mass transport, hydrogen bonded systems, and vibrational excitations.

A particular focus is put on ionic liquids that have several intriguing properties including negligible vapor pressure, high electrochemical stability, and high conductivity. We study both neat ionic liquids and ionic liquids in polymer mem-branes, colloidal dispersions, and ionic liquid/Li-salt mixtures for Li-batteries, with respect to the influence of anion/cation structure on ion transport, phase behavior, glass transition temperature, and their use as solvents in colloidal silica gels.

By combining spectroscopic methods we access the relevant time and length scales. In-house laboratories include Raman scattering, infra-red spectroscopy and photon correlation spectroscopy. At large scale facilities experiments are performed with quasi-elastic and inelastic neutron scattering, inelastic x-ray scat-tering, x-ray photon correlation spectroscopy.

A Li-conducting colloidal gel based on surface modified fumed silica


The effect of Lithium salt on the stability of dispersions of fumed silica in the ionic liquid BMImBF4; J. Nordström, L. Aguilera and A. Matic Langmuir 28, 4080-4085 (2012)

Phase behavior and ionic conductivity in LiTFSI doped ionic liquids of the pyrrolidinium cation and TFSI anion; A. Martinelli, A. Matic, P. Jacobsson, L. Börjesson, A. Fernicloa and B. Scrosati; Journal of Physical Chemistry B 113, 11247-11251 (2009)

Phase behaviour, transport properties, and interactions in Li-salt doped ionic liquids; J. Pitawala, J.-K. Kim, P. Jacobsson, V. Koch, F. Croce, and A. Matic; Faraday Discussions, 154, 71-80 (2012)

Soft Matter Physics

Aleksandar MaticProfessor

MSc Uppsala UniversityPhD Chalmers University of Technology


Development of electrochemical devices such as solar cells, fuel cells and rechargeable lithium batteries is the prime interest. This involves a broad range of measurements of electrical and thermal properties to develop and analyze materials with the desired properties.

Photoelectrochemical solar cells based on natural or synthetic dyes and on quantum dots are developed in order to obtain stable and cost-efficient devices. Quantum dots are used in this application because their absorption spectrum is dependent on the size of the dots and could thus be tuned to a specific applica-tion or to enlarge the range of absorbed energy. Focus is on improving electrical properties and durability.

Lithium-ion batteries are now generally considered for automotive use, neverthe-less there are aspects of their use that need a deepened knowledge concerning material science. These issues are primarily related to safety and lifetime of the battery. A state-of-health determination is e.g. intrinsically dependent on the cell chemistry and operating conditions. Presently different aspects of lithium-ion battery safety are investigated.

Solid oxide fuel cells (SOFCs) are known for their good electrochemical proper-ties, but the high operating temperature and the use of brittle ceramic materials are causes for concern. Efforts on developing material technology which allows for intermediate temperature SOFCs as well as on other fuel cell systems are in progress.

Reponse to light pulses for a quantum dot photoelectrochemical

solar cell


Are Electric Vehicles Safer Than Combustion Engine Vehicles?; F. Larsson, P. Andersson, B.-E. Mellander; Systems Perspectives on Electromobility, ed: B. Sandén, Chalmers University of Technology, Göteborg, ISBN 978-91-980973-1-3, 31-44 (2013)

Co-sintering of Solid Oxide Fuel Cells made by Aqueous Tape Casting; J. Stiernstedt, Elis Carlström and Bengt-Erik Mellander; Proceedings of the 10th European SOFC Forum 2012, Lausanne (2012)

Efficiency Enhancement in Dye Sensitized Solar Cells Using Gel Polymer Electrolytes Based on Tetrahexylammonium Iodide and MgI2 Binary Iodide System; T.M.W.J. Bandara, M.A.K.L. Dissanayake, W.J.M.J.S.R. Jayasundara, I Albinsson and B.-E. Mellander; Phys Chem Chem Phys 14, 8620-8627 (2012)

Innovative energy conversion devices

Bengt-Erik MellanderProfessor

MA University of GothenburgPhD University of Gothenburg



Selective Nano-Scale Functionalization: The impressive degree of miniatur-ization of lithographic techniques during the last 40 years has revolutionized the way we fabricate micro and nano structures used in our everyday life. This research project focuses on the development of chemistries that allow for selective, lithography free functionalization of nanostructures with sub nanome-ter resolution. The work takes its offspring from organic synthesis, and includes nanoparticle and nano-rod synthesis, surface functionalization and characteriza-tion. Improved resolution and single molecule selectivity is highly desirable since it leads to new opportunities in a broad range of applications ranging from single molecule electronics to single molecule sensors and nano-medicine.

Molecular Materials for Energy Storage and Conversion: Exploring ways to harness solar energy is a major focus of research in recent years. A promis-ing method for long-term solar energy storage is through chemical bonds of photosensitive materials. In these molecular solar thermal (MOST) systems, a parent compound is photo-converted to a stable higher energy isomer. In turn, the parent compound can be regenerated upon thermal excitation or exposure to a catalyst of the isomer upon which the stored energy is released in the form of heat.

Illustration of a molecular solar thermal (MOST) device


Efficiency Limit of Molecular Solar Thermal Energy Storage Devices; K. Börjesson, A. Lennartson and K. Moth-Poulsen; ACS Sustainable Chem. Eng. 1, 585-590 (2013)

Molecular Solar Thermal (MOST) Energy Storage and Release System; K. Moth-Poulsen, D. Coso, K. Börjesson, N. Vinokurov, S. Meier, A. Majumdar, K.P.C. Vollhardt, R.A. Segalman; Energy Environ. Sci. 5, 8534-8537, (2012)

Aligned Growth of Gold Nanorods in PMMA Channels: Parallel Preparation of Nanogap Junctions; T. Jain, S. Lara-Avila, Y.-V. Kervennic, K. Moth-Poulsen, K. Nørgaard, S. Kubatkin and T. Bjørnholm; ACS Nano 6, 3861-3867 (2012)

Design and synthesis of new self-assembled molecular materials

Kasper Moth-PoulsenAssistant Professor

Cand. Scient. University of CopenhagenPh.D. University of Copenhagen


Our research focuses on plastic materials for renewable energy applications.

Plastic Solar Cells: We develop flexible solar cells that can provide a cheap and durable supply of renewable energy. We use a novel type of material that is based on organic, carbon-based semiconductors instead of silicon. These plas-tics make it possible to prepare inks that can be used with regular office printers. Building a plastic solar cell is no more difficult than printing a colour magazine!

Plastic Thermoelectrics: Thermoelectric power generators are solid-state devices that directly convert heat flow to electricity. Thin and flexible designs that can cover large areas are suited for waste heat recovery in industrial settings from chimneys to data centres. On the other hand, a miniature power source would be of great benefit for the myriad of autonomous electronic components such as wireless sensors and identification tags that are envisaged to make up tomor-row’s Internet of Things.

Insulation Materials for High-Voltage Cables: Renewable energy is most abun-dant in sparsely populated areas. High-voltage direct current (HVDC) cables are the most efficient technology to connect power grids across Europe in order to deliver renewable energy to the end user. It will be possible to harvest solar ener-gy in Southern Europe or even the Sahara desert during daytime. In contrast, at night hydroelectric dams in Northern Europe can take over electricity generation to ensure a continuous and smooth supply of energy.

Photovoltaic Spherulites; Adv. Funct. Mater. 23, 2368-2377 (2013)


Nucleation-Limited Fullerene Crystallisation in a Polymer-Fullerene Bulk-Heterojunction Blend; C. Lindqvist, A. Sanz-Velasco, E. Wang, O. Bäcke, S. Gustafsson, E. Olsson, M. R. Andersson and C. Müller; J. Mater. Chem. A 1, 7174-7180 (2013)

Thermoelectric composites of poly(3-hexylthiophene) and carbon nanotubes with a large power factor; C. Bounioux, P. Díaz-Chao, M. Campoy-Quiles, M.S. Martín-González, A.R. Goñi, R. Yerushalmi-Rozen and C. Müller; Energy Environ. Sci. 6, 918-925 (2013)

Patterned optical anisotropy in woven conjugated polymer systems; C. Müller, M. Garriga and M. Campoy-Quiles; Appl. Phys. Lett. 101, 171907-171912 (2012)

Polymer Technology

Christian MüllerAssistant Professor

M.Sci. University of CambridgeDr.sc. Eidgenössische Technische Hoch-schule (ETH) Zürich


´


Energy related applications, e.g. oxide fuel cells, lithium batteries, and hydrogen storage, commonly contain crystalline materials with significant local atomic ordering that differs from the average structure. One prime example is oxide conducting materials that often have a substantial cation disorder whilst the associated oxygen vacancies are intrinsically ordered as well as clustered around specific cations. Such detailed knowledge about the local structural ordering is essential for a complete structural understanding and for making new materials with improved properties.

My main research focus is on understanding the fundamental aspects of structural disorder and how it affects the physical properties of a material. A main experimental technique is neutron total (Bragg + diffuse) scattering which provides a total pair distribution function (PDF) that can be analysed with the reverse Monte Carlo (RMC) method and results in information concerning order/disorder at the local atomic scale as opposed to methods that analyse the av-erage structure. Our RMC results are often coupled with theoretical simulations in order to get a more complete understanding about the relationship between structure and physical properties.

The development of in-situ cells for neutron powder diffraction, e.g. in-situ cells for controlled oxygen pressure & impedance spectroscopy is part of an ongoing cooperation between Chalmers and the ISIS neutron facility, UK.

Partial pair distribution functions for yttria doped zirconia


Structural Disorder in Doped Zirconias, Part I: The Zr0.8Sc0.2-xYxO1.9 (0.0 x 0.2) System; S.T. Norberg, S. Hull, I. Ahmed, S.G. Eriksson, D. Marrocchelli, P.A. Madden, P. Li and J.T.S. Irvine; Chemistry of Materials 23, 1356-1364 (2011)

Oxide-Ion Disorder Within the High Temperature delta Phase of Bi2O3; C.E. Mohn, S. Stolen, S.T. Norberg and S. Hull; Physical Review Letters 102; 155502-155506 (2009)

Bond valence sum: a new soft chemical constraint for RMC Profile; S.T. Norberg, M.G. Tucker and S. Hull; Journal of Applied Crystallography 42; 179-184 (2009)

Disordered Crystalline Materials

Stefan NorbergAssociate Professor



Tuned release of biocides from coatings: Facade paint loses its protective ability quite rapidly due to fast biocide leakage. A promising improvement of anti-growth protection can be achieved by the use of encapsulated biocides that slows down the diffusion. The biocide is placed into microparticles, from where it is slowly distributed into the surrounding coating matrix. My current research involves projects which focus on microparticle formulation and examination of molecular transport in coating systems. The research concerns the mechanisms that govern release from microparticles and the possibility to apply mathematical models that may describe and predict anti-growth efficiency of coating applica-tions.

Physicochemical properties of cellulose-based materials: The demand for sustainable products increases. Wood, as a renewable material available in large quantities, is of particular interest in this regard. A key component is cellulose, the biopolymer with a variety of application potentials but, at the same time, equipped with complexity. My current research involves projects which focus on correlating molecular and nano-scale features with macroscopic properties upon various process treatments. One example is paper pulp modification during drying and wetting processes. Dissolution and regeneration of cellulose is also of interest. The main experimental technique is NMR spectroscopy, from various methodological perspectives, and its possibilities to provide physicochemical insight.

Electron micrograph of a paint matrix with encapsulated biocide


CP/MAS 13C-NMR study of pulp hornification using nanocrystalline cellulose as a model system; A. Idström, H. Brelid, M. Nydén and L. Nordstierna; Carbohydrate Polymers 92, 881-884 (2013)

Charged microcapsules for controlled release of hydrophobic actives. Part III: Effect of polyelectrolyte brush- and multilayers on sustained release; M. Andersson Trojer, H. Andersson, Y. Li, J. Borg, K. Holmberg, M. Nydén and L. Nordstierna; Physical Chemistry Chemical Physics 15, 6456-6466 (2013)

An investigation of the sol-gel process in ionic liquid/silica gels by time resolved Raman and 1H NMR spectroscopy; A. Martinelli and L. Nordstierna; Physical Chemistry Chemical Physics 14, 13216-13223 (2012)

Soft Matter Characterization

Lars NordstiernaAssistant Professor

MSc Lund UniversityPhD Royal Institute of Technology



The degradation of engineering metals in harsh environments often limits the capability of technical systems. Increased temperatures affect the microstructure and induce accelerated corrosion that reduces the lifetime.

My research focuses on materials in power conversion systems where higher temperatures significantly improve the energy efficiency and environmental impact of the system. Thorough studies of the material performance give a basis not only for alloy selection but also to identify relevant research questions. Studies of materials degradation on scales ranging from meter to nanometer are related to the material structure and the application. This is combined with lab exposures, often mimicking complex environments, and detailed characteri-zation of the attack. In particular we use surface analytical tools like AES (Auger Electron Spectroscopy) and XPS on both technical surfaces from the field, and on lab material. The general aim is a more efficient use of engineering metals in their application.

The applications include waste and bio fuelled boilers where fuels, lowering the emissions of CO2, can cause severe corrosion of stainless steels. We did rather fundamental studies of the corrosion of cast steels and irons used in engines manifolds and now work on corrosion in exhaust systems where urea is injected to reduce the emissions. A recent topic is running phenomena on gear surfaces related to transmission lifetime and efficiency.

AES profile of oxide on nitrided austenitic stainless steel


High temperature corrosion of cast alloys in exhaust environments I-ductile cast irons; F. Tholence and M. Norell; Oxidation of Metals, 69 (1-2), 13-36 (2008)

Characterization of surface oxides on water-atomized steel powder by XPS/AES depth profiling and nano-scale lateral surface analysis; D. Chasoglou, E. Hryha, M. Norell and L. Nyborg; Applied Surface Science, 268, 496-506 (2013)

Role of Nitrogen Uptake During the Oxidation of 304L and 904L Austenitic Stainless Steels; Y. Cao and M. Norell; Oxidation of Metals, DOI:10.1007/s11085-013-9391-1 (2013)

Engineering metal surfaces

Mats NorellLecturer



Powder metallurgy (PM) is one of the most energy efficient and materials utilization efficient ways of transforming a raw material into the final material in advanced products and components. The control of surface reactions during the processing of the PM material is of great importance and I have therefore taken special interest in advanced surface analysis such X-ray photoelectron spec-troscopy (XPS) and Auger electron spectroscopy to study surface composition of metal powder and develop understanding of surface reactions during metal powder sintering. This includes studies of high strength sintered steels and re-cently also soft magnetic composites and shape memory metals. We try then to understand how to sinter to achieve good properties (see figure). We have also included thermodynamic and kinetics modeling, experimental simulations, FEM, etc in our approach. Other areas of interest and effort include work material behavior in metal cutting, welding metallurgy, tribology, oxidation and corrosion. In all the areas, co-operation with industry is vital. Special efforts also include the Sino-Swedish Advanced Materials Exchange Centre and Metal Cutting Research and Development Centre (MCR).

Fracture surface of well sintered material: Hryha, Chasoglou, Nyborg


Characterization of surface oxides on water-atomized steel powder by XPS/AES depth profiling and nano-scale lateral surface analysis; D. Chasoglou, E. Hryha, M. Norell and L. Nyborg; Applied Surface Science 268, 496-506 (2013)

Thin film characterisation of chromium disilicide; P.L. Tam, Y. Cao, L. Nyborg and U. Jelvestam; Surface Science, 609, 152-156 (2013)

Stoichiometric Vanadium Oxides Studied by XPS; E. Hryha, E. Rutqvist and L. Nyborg; Surface and Interface analysis, 44(8), 1022-1025 (2012)

Surface and Interface Engineering of PM materials and Advanced Alloys

Lars NyborgProfessor




Molecular framework constructions, specifically designed materials where the molecular units are held together by hydrogen bonds or coordination bonds, have future applications as porous materials for catalysis and separation, nonlinear optics and magnetic materials and are also relevant for sustainable energy systems needing hydrogen gas storage materials. An important tool for the construction and understanding of these is the concept of 3D-nets (which is also a useful in the analysis many other crystal structures). Our research has the following general goals:

• Understanding the interactions that control the self-assembly of these molecular based 3D-nets by a detailed analysis of prepared structures and by statistical analysis of the CSD.

• Develop rational synthetic methods for the preparation of specific 3D-nets.

• Use and development of network topology analysis.

A metal-organic framework. Lines indicate molecular structure, tubes

the underlying topology


Solid-state properties of pincer palladium halides as porous crystalline material - structure, composition and stability; M. T. Johnson, Z. Džolic, Mario Cetina, K. Rissanen, L. Öhrström and O. F. Wendt; 42, 8484 - 8491, Dalton Trans. (2013)

Coordination Polymers, Metal-Organic Frameworks and the Need for Terminology Guidelines; S.R. Batten, N.R. Champness, X.-M. Chen, J. Garcia-Martinez, S. Kitagawa, L. Öhrström, M. O’Keeffe, M. P. Suh and J. Reedijk; CrystEngComm, 14, 3001 - 3004 (2012)

Multi-component self-assembly of molecule based materials by MOFs and weak intermolecular synthons; M. Ghazzali, V. Langer, K. Larsson and L. Öhrström; CrystEngComm, 13, 5813 - 5817 (2011)

Metal-Organic Frameworks

Lars ÖhrströmProfessor

MSc (Civ.Ing.) Royal Institute of Tech-nologyPhD Royal Institute of Technology


It is crucial to decrease the emissions of toxic gases from vehicles and het-erogeneous catalysis plays a vital role for this. The catalytic system after a diesel engine is today very complex. Most new catalysts are multi-component, with several active materials dispersed on a porous support. Real catalysts on a support are very heterogeneous and the outcome off the added materials is often far from the sum of the added functions. The interplay between different materials will influence the electronic promotion of the active materials, the num-ber of sites in the border between the materials, spill-over processes, etc. These processes are crucial for the activity and selectivity of the catalytic material. In my research group we focus on heterogeneous catalysis for cleaning emissions from vehicles. We synthesize catalytic materials and characterize them thorough-ly. We also use micro calorimetry to determine the heat of adsorption of gases on different surfaces and DRIFT spectroscopy to identify the adsorbed species on the catalyst. We combine all the experimental results in order to develop a detailed mechanism for what reaction steps occur on the catalytic surfaces and how the interplay between the materials affect the mechanisms as well as activ-ity and selectivity. Based on this understanding we develop kinetic models that can describe the reactions that occur on the catalytic materials. The models can be used both for increasing the knowledge and for predictions.

The effect of adding barium before or after platinum in NOx

storage catalysts


Experimental evidence of the mechanism behind NH3 overconsumption during SCR over Fe-zeolites; R. Nedyalkova, K. Kamasamudram, N.W. Currier, J. Li, A. Yezerets and L. Olsson; Journal of Catalysis 299, 101-108 (2013)

The effect gas composition during thermal aging on the dispersion and NO oxidation activity over Pt/Al2O3 catalysts; X. Auvray, T. Pingel, E. Olsson and L. Olsson; Applied Catalysis B: Environmental 129 517-527 (2013)

Mechanistic investigation of hydrothermal aging of Cu-Beta for ammonia SCR; N. Wilken, K. Wijayanti, K. Kamasamudram, N.W. Currier, R. Vedaiyan, A. Yezerets and L. Olsson; Applied Catalysis B: Environmental 111-112 58-66 (2012)

Emission cleaning from vehicles using heterogeneous catalysis

Louise OlssonProfessor

MSc Chalmers University of TechnologyPhD University of Technology



The properties of materials are determined by the arrangements of atoms and electrons in phases, combined systems and artificially made structures. The rea-son is that atoms are sufficiently close for each atom to simultaneously interact with several nearest neighbours at any given time in solid state and liquid matter. Consequently, defects and interfaces also have a strong influence on the proper-ties. My research concerns the correlation between atomic structure and atomic structure and how they are related to the synthesis parameters. The knowledge provides both a fundamental understanding for the material phenomena and also the ability to design new intelligent materials with tailored properties.

The atomic structure is studied mainly using electron microscopy and the elec-tronic structure mainly using electron energy loss spectroscopy. The develop-ment of new methods for dynamic in situ experiments by, for example, scanning probe microscopy and manipulation in the electron microscopes allows the direct correlation between the local atomic structure and properties on the nanoscale accessing new information.

The high resolution high angle annular dark field (HAADF) scanning transmis-sion electron microscope (STEM) image (raw data) shows a LaAlO3/SrTiO3 interface. Each bright dot corresponds to an atomic column. The brightest dots corresponds to La atom columns and the next brightest to Sr columns. The distance between two bright spots is 4 Å.

Atom resolution HAADF STEM image of an oxide interface and

EELS spectra


Novel Method for Controlled Wetting of Materials in the Environmental Scanning Electron Microscope; A. Jansson, A. Nafari, A. Sanz-Velasco, K. Svensson, S. Gustafsson, A.-M. Hermansson and E. Olsson; Microscopy and Microanalysis 19, 30-37 (2013)

Atomic structure of functional interfaces in Sr2RuO4/Sr3Ru3O7 eutectic crystals; R. Ciancio, H. Pettersson, J. Börjesson, S. Lopatin, R. Fittipaldi, A. Vecchione, S. Kittaka, Y. Maeno, S. Pace and E. Olsson; Appl. Phys. Lett., 95, 142507-142510 (2009)

Effect of oxygen vacancies in the SrTiO3 substrate on the electrical properties of the LaAlO3/SrTiO3 interface; A. Kalabukhov, R. Gunnarsson, J. Börjesson, E. Olsson, T. Claeson, and D. Winkler; Phys. Rev. B Rapid communication, 75, 121404-121408 (2007)

Functional structures of nanostructured materials

Eva OlssonProfessor

MSc Chalmers UniversityPhD Chalmers University


My research interest consists of evaluation and implementation of novel tech-niques for characterization of the bone-implant interface at different resolutions levels and aspects. Important factors are structural and chemical analysis with nanometer resolution and biomechanical evaluations at the macro level. By com-bining analysis at different length scales in multi dimensions a more thorough understanding of the bone-bonding process could be retrieved generating more detailed knowledge for optimization of the surface structure, improving the early bone formation and long-term success.

Implants are used to restore lost body functions, which might be due to trauma or decease. Since the 1960’s titanium implants have been used for anchoring teeth and have shown excellent clinical results. The ability for a titanium implant to be anchored in bone tissue was termed osseointegration, and defined as a di-rect contact by bone to the implant surface without an intervening fibrous tissue. Since then other applications have been introduced such as the bone anchored hearing aids and major limb amputation prosthesis, which dramatically improve the quality of life for the patients.

With the emerging nanotechnologies new definitions are needed where one of them is nano-osseointegration, where the bone anchoring process in nano-scale resolution needs to be defined in both projection view (2D) and tomography (3D) (Figure).

The bone-implant interface in STEM (A) and STEM tomography (B)


Where bone meets implant: the characterization of nano-osseointegration; K. Grandfield, S. Gustafsson and A. Palmquist; Nanoscale 5(10), 4302-8 (2013)

Chemical and structural analysis of the bone-implant interface by TOF-SIMS, SEM, FIB and TEM: Experimental study in animal; A. Palmquist, L. Emanuelsson and P. Sjövall; Appl Surf Sci 258(17), 6485-94 (2012)

Bone-titanium oxide interface in human revealed by TEM and electron tomography; A. Palmquist, K. Grandfield, L. Emanuelsson, T. Mattsson, R. Brånemark and P. Thomsen; J R Soc Interface 9(67), 396-400 (2012)

Osseointegration: from macro to nano

Anders PalmquistResearcher

MSc Luleå Technical University; Institut National Polytechnique de Lorraine; Uni-versitat Politècnica de CatalunyaPhD University of Gothenburg



Our research is within the area of materials chemistry where we develop new functional materials and methods for their synthesis. We have expertise in studies of processes involved in the formation of nanostructured materials, structural and physicochemical characterisation of materials and evaluation of their properties.

Nanostructured materials: Much of our efforts are focused on nanostructured materials ranging from small particles to micro- and mesoporous solids and host-guest clathrates. These materials offer high interfacial areas and a diverse range of properties, and are of interest for many applications. Depending on structure and composition of the material we choose our synthesis methods from a broad range including amphiphile-directed wet chemical sol-gel methods, solvothermal, solid state mixing and crystal pulling using the Czochralski-method.

Materials for energy applications: Sustainable supply of energy and more effi-cient conversion and storage of energy are grand challenges for our civilisation. We target these challenges by developing and evaluating new functional materi-als for relevant applications. We prepare and evaluate new thermoelectric materi-als for direct conversion of waste heat to electricity. We develop noble metal free fuel cell catalysts for generation of electricity through efficient electrochemical oxidation of hydrogen to water. We study the synthesis of photocatalytic materi-als for solar light harvesting to facilitate chemical reactions.

Rb-CTH-1, a nanoporous semicon-ductor. Angew. Chem. Intl. Ed. 46,

718-722 (2007)


Large thermoelectric figure of merit at high temperature in Czochralski-grown clathrate Ba8Ga16Ge30; A. Saramat, G. Svensson, A.E.C. Palmqvist, C. Stiewe, E. Mueller, D. Platzek, S.G.K. Williams, D.M. Rowe, D. Bryan and G.D. Stucky; Journal of Applied Physics 99, 023708-023713 (2006)

Low-temperature synthesis and HRTEM analysis of ordered mesoporous anatase with tunable crystallite size and pore shape; E. Nilsson, Y. Sakamoto, and A.E.C. Palmqvist; Chemistry of Materials 23, 2781-2785 (2011)

Transition metal ion-chelating ordered mesoporous carbons as noble metal-free fuel cell catalysts; J.K. Dombrovskis, H.Y. Jeong, K. Fossum, O. Terasaki and A.E.C. Palmqvist; Chemistry of Materials 25, 856-861 (2013)

Functional Materials Chemistry

Anders PalmqvistProfessor

MSc Chalmers University of TechnologyPhD Royal Institute of Technology


Materials technology has its main focus on the relation between microstructure and mechanical properties of engineering materials. That includes different tech-nological processes like heat treatment, forming and welding and also encom-passes the behavior of the materials in manufacturing processes and products in service. Examples of current research areas:

• Studies of new types of materials in railway wheels and rails needed for in-creased train speeds and axle loads. Higher strengths materials often lead to, for instance, larger sensitivity for thermal damage, the effect of which is also studied. Cooperation with several industrial partners within CHARMEC.

• Thermo-mechanical fatigue of super-alloys in collaboration with GKN. Components in jet engines are subjected to both varying mechanical loads and varying temperatures. The research is aimed at understanding the material behavior under these extreme conditions. The ultimate goal is to develop constitutive models and a model for lifeing. The research is done with collaboration with the department of Applied Mechanics.

The research is concentrated on deformation and fatigue behavior of materials, complemented with optical and electron microscopy, image analysis, fractog-raphy etc. The influence of high and low temperatures, different strain rates, defects and cracks is studied. The mechanical properties are often implemented into material models used for computer simulation.


Influence of particle in-flight characteristics on the microstructure of atmospheric plasma sprayed yttria stabilized ZrO2; M. Friis, C. Persson and J. Wigren; Surface & Coatings Technology 141 (2-3), 115-27 (2001)

Atomistic simulations of tensile and bending properties of single-crystal bcc iron nanobeams; P.A.T. Olsson, S. Melin, and C. Persson; Physical Review B 76 (22) 224112-1-15 (2007)

Experimental and numerical investigation of crack closure measurements with electrical potential drop technique; M. Andersson, C. Persson, and S. Melin; International Journal of Fatigue 28 (9) 1059-1068 (2006)

Materials Engineering

Christer PerssonProfessor

MSc Linköping UniversityPh.D. Linköping University



Polymers constitute today a very important group of materials, although the plas-tics have only been around for a few decades. A distinctive feature of materials science is the search for useful relations between the structure (on different levels) and material properties. In the case of polymeric materials, the processing technique chosen has a very strong influence on the structure of the material and thus on its performance. These aspects constitute together the basis for the activities within the research group. The research is often of an interdisciplinary character and covers both fundamental and more applied issues.

My specific interests are today focussed on the relations between surface charac-teristics of polymeric components, e.g. surface topography, colour and reflectance, and the perceived quality. This requires fundamental knowledge on the scattering properties of surfaces as well as the use of human test panels. Here the rheolog-ical properties and the manufacturing process also have a direct influence on the surface quality, not least for the generation of surface defects. Use of polymers based on renewable resources, instead of fossil-based ones, also constitutes an area of great interest. The use of such materials requires however in many cases an adaptation of the processing technique used inrelation to the rheology of the system and this represents an active research field for the group. A third import-ant activity centres around electrical and other physical properties of polymer nanocomposites based on carbonaceous particles. Specific interests centre around enhancement of piezoelectric ability and tailoring electrical conductivity by incorporation of carbon nanotubes, graphite nanoplatelets and carbon black in a polymeric matrix.

Graphite nanoplatelets and carbon black in polyolefin matrix


Melt spinning of conducting polymeric composites containing carbonaceous fillers; M. Strååt, S. Toll, A. Boldizar, M. Rigdahl and B. Hagström, J. Appl. Polym. Sci., 119, 3264-3272 (2011)

Elongational flow mixing for manufacturing of graphite nanoplatelet/polystyrene composites; H. Oxfall, J. Rondin, M. Bouquey, R. Muller, M. Rigdahl and R. W. Rychwalski J. Appl. Polym. Sci., 128,2679-2686 (2013)

Film blowing of thermoplastic starch; M. Thunwall, V. Kuthanova, A. Boldizar and M. Rigdahl, Carbohydrate Polym., 71, 583-590 (2008)

Polymeric materials and composites

Mikael RigdahlProfessor



Design of lightweight structures for the maritime industry is a challenge from a structural and a material utilisation point of view. Marine structures must be designed properly to endure the variability in loading conditions from the environment (wind, waves, temperature) with very low risk for loss of property, human life or hazardous accidents for the environment. Energy efficiency during shipping transportation should also be strived for by making the structures as lightweight as possible.

My research covers studies of fundamental aspects of material characterisation and performance for marine structures applications. Depending on the type of structure and its intended use and functionality, metallic and composite material solutions and their characteristics are considered. Material utilisation and investigation of various damage mechanisms in a material that can lead to a potential loss of structural integrity are studied such as exceeding the ultimate strength, fatigue, reduction in ductility and brittleness.

The material science research is carried out by means of advanced nonlinear finite element simulations together with experimental testing of material characteristics using, for example, digital image correlation (DIC) and acoustic emission (AE) mea-surement techniques, standard specimens as well as large-scale structures. Some examples of my fields of research for enhanced utilisation and design of safe and reliable lightweight material solutions for marine applications are: Arctic engineer-ing, collision and grounding (energy absorption and fracture behaviour), composite materials in large-scale commercial vessels, fatigue and fracture (in general), residual stresses, probabilistic methods and risk analysis.

Solid indenter penetration of a metal sheet - determination of

material performance


Assessment of the crashworthiness of a selection of innovative ship structures; P. Hogström and J.W. Ringsberg; Ocean Engineering, 59 (1), 58-72 (2013)

Theoretical development and validation of a fatigue model for ship routing; W. Mao, J.W. Ringsberg, I. Rychlik and Z. Li; Ships and Offshore Structures, 7 (4), 399-415 (2012)

Study on the possibility of increasing the maximum allowable stresses in fibre-reinforced plastics; L.F. Sanchez-Heres, J.W. Ringsberg and E. Johnson; Journal of Composite Materials, 47 (16) 1931-1941 (2013)

Lightweight Structures and Material Characterisation

Jonas RingsbergProfessor




Liquid crystals (LCs) are soft materials and represent a variety of well-defined types of long range order the physics of which has more resemblance to solid state features than to common liquids. The field of liquid crystals extends far beyond displays (LCDs) and combines basic aspects of physics, chemistry, materials science, engineering and biology.

My research concerns physics and device physics of ferro- and antiferroelectric LCs (FLCs and AFLCs) , which are up to 1000 times faster than the nematic LCs used in today’s LCDs. The layered (smectic) structure of FLCs and AFLCs can lead to buck-ling defects which affect device performance. We are currently developing a new class of FLC materials in which the tendency for smectic layer buckling is inherently suppressed.

In AFLC devices, the effects of LC misalignment - light leakage in the dark state - can be eliminated by the use of our orthoconic AFLCs. A number of device concepts based on orthoconic AFLCs for faster displays and 3D applications are now being explored.

My work also comprises fundamental studies of “bent-core” LCs, in which ferro-electricity has a different origin than in conventional rod-like core FLCs, and whose electrooptic effects should be ideal for ultra fast phase shifters.

An example of rather different type of research is our work on colloidal liquid crystal shells. The topological defects in LC shells have been proposed for use as linker anchor points for self-assembly of e.g. diamond-like colloidal crystals.

A spherical liquid crystal shell at the nematic to smectic A transition


Nematic-Smectic Transition under Confinement in Liquid Crystalline Colloidal Shells; H.-L. Liang, S. Schymura, P. Rudquist and J. Lagerwall; Phys. Rev. Lett. 106, 247801-247805 (2011)

Smectic LCD Modes; P. Rudquist, In Handbook of Visual Display Technology, Eds. J.Chen, W. Craynton and M. Finn, Canopus/Springer (2011)

The Orientational Order in So-Called de Vries Materials; S.T. Lagerwall, P. Rudquist and F. Giesselmann; Molecular Crystals and Liquid Crystals 510, 1282-1291 (2009)

Liquid Crystals

Per RudquistAssociate Professor



Our van der Waals density functional (vdW-DF), proposed in 2004, has shown great promise in a broad range of applications, covering such varied systems as graphite, polymers, and DNA. Ground-state properties, including binding ener-gies, equilibrium geometries, and vibrational frequencies, have been calculated with a good agreement with experimental data, as well as electronic properties, like intercalation effects and work functions.

My work focuses on test, development, and applications and aims to show that atomistic theory, for example via vdW-DF, can give input to the more general condensed matter work pursued by the community working on systems of larger scales, such as by providing first-principles-based parameters.

The work by our Chalmers-Rutgers collaboration on the vdW-DF functional has been immensely successful in the sense that good results are obtained with at first reasonable computational effort and by now marginal computational cost. The vdW-DF functional has been implemented in many DFT codes, including Siesta, GPAW, Abinit, and Quantum Espresso. The applications are many; in my group recent systems have been layered oxides (mainly V2O5) and adsorption of molecules (adenine, PAH molecules, n-alkanes, phenol, methanol, etc) on graphene and other surfaces.

Sketch of a layer of adenine adsorbed on graphene


Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory; S. D. Chakarova-Käck, A. Vojvodic, J. Kleis, P. Hyldgaard, and E. Schröder; New Journal of Physics 12, 013017 (2010). DOI: 10.1088/1367 2630/12/1/013017

Van der Waals density functional for general geometries; M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist; Physical Review Letters 92, 246401 (2004). DOI: 10.1103/PhysRevLett.92.246401

Application of van der Waals density functional to an extended system: Adsorption of benzene and naphthalene on graphite; S. D. Chakarova-Käck, E. Schröder, B. I. Lundqvist, and D. C. Langreth; Physical Review Letters 96, 146107 (2006). DOI: 10.1103/PhysRevLett.96.146107

Atomic scale theory for sparse matter

Elsebeth SchröderProfessor

MSc University of CopenhagenPhD University of Copenhagen



My main research fields are emission control catalysis and catalysis for energy conversion. Most of my work is performed within the Competence Centre for Catalysis, KCK. Particularly the study of kinetics and reaction mechanisms in the catalytic reduction of nitrogen oxides in oxidizing environment, catalytic oxidation of hydrocarbons at low temperatures, and surface processes during detection of gases on chemical gas sensors is of great interest. The research combines modern techniques, particularly in situ techniques, and methods within catalysis and nanoscience to relate catalytic properties as activity, selectivity and stability with physiochemical properties of the catalytic material studied.

An especially important issue in the research is the use of well-controlled pertur-bations of the reactant composition, to improve the performance of the catalyst, and to identify the surface processes that control the reaction considered. My vi-sion is to contribute to a sustainable transport, energy and environmental system with new catalyst techniques.

The figure shows the evolution of XANES platinum spectra during a pulse-re-sponse experiment for a Pt/Al2O3 catalyst exposed methane while periodically varying the oxygen concentration. The intensity of the white line decreases when the oxygen supply is switched off indicating a decreasing O/Pt-ratio which is shown beneficial for a high activity for methane oxidation.

XANES platinum spectra during pulse-response for Pt/Al2O3 catalyst

exposed to methane


In situ spectroscopic investigation of low-temperature oxidation of methane over alumina-supported platinum during periodic operation; E. Becker, P.-A. Carlsson, L. Kylhammar, M. Newton and M. Skoglundh; Journal of Physical Chemistry C, 115, 944-951 (2011)

Vibrational analysis of H2 and D2 adsorption on Pt/SiO2; M. Wallin, H. Grönbeck, A. Lloyd Spetz, M. Eriksson and M. Skoglundh; Journal of Physical Chemistry B, 109, 9581-9588 (2005)

The mechanism for NOx storage; E. Fridell, H. Persson, B. Westerberg, L. Olsson and M. Skoglundh; Catalysis Letters, 66, 71-74 (2000)

Emission Control and Energy-related Catalysis

Magnus SkoglundhProfessor



Krystyna Stiller is a physicist specialised in materials science. She is heading the Division of Materials Microstructure at the Department of Applied Physics. The aim of her research is to understand how the material microstructure (down to single atoms) affects material properties. This is a prerequisite for a modern and efficient material design. Her research focuses on processes of phase transfor-mations and on the microstructure and composition of thin surface layers, phase and grain boundaries by high-resolution techniques: electron microscopy and atom probe tomography (APT). APT enables studies of material chemistry in 3D on a sub-nanometer scale. She has a widespread network of Swedish and international. She also works closely with Swedish industry.

Distribution of atoms in a Ni-based alloy by APT Cr

(purple), Al (turqoise) and B


Atom probe tomography of oxide scales; K. Stiller, L. Viskari, G. Sundell, F. Liu, M. Thuvander, H.-O. Andrén, D.J. Larson, T. Prosa and D. Reinhard, Oxidation of Metals, 79, 227-238 (2013)

Intergranular crack tip oxidation in a Ni-base superalloy; L. Viskari, M. Hörnqvist, K.L. Moore, Y. Cao and K. Stiller; Acta Mater. 61, 3630-3639 (2013)

An Atom-Probe Tomography Primer; D.N. Seidman and K. Stiller, MRS bulletin, 34, 717-724 (2009)

Material Physics

Krystyna StillerProfessor

Fil. kand. University of GothenburgPhD Chalmers University of Technology



Material chemistry research is important for a sustainable society, e.g. for the de-velopment of new sustainable energy systems. In many cases the development of new, energy-saving and environmentally friendly, techniques are limited by the degradation of materials at high temperature. My research concerns mainly material chemistry for energy applications, application areas include Solid Oxide Fuel Cells (SOFC) and green electricity production from biomass.

My research focuses on fundamental aspects of the oxidation and corrosion processes. The long-term scientific objective is to increase the knowledge of the oxidation and corrosion through mechanistically directed experiment. The ability of materials to withstand high-temperature corrosion is determined by the prop-erties of the oxide scales, e.g. chromia and alumina, that develop. The morpholo-gy of the protective layer and its crystal, defect and grain structure are decisive in this respect and involve a length scale from several nanometers to micrometer. Because the processes that constitute corrosion occur on so different length scales, we combine methods that cover the whole range, from the nanometer scale to the macroscopic object. A wide range of state-of-the-art methods for in-vestigating and characterizing materials and surfaces, including in-situ corrosion experiments, electron microscopy and first principles model calculations is used.

In addition, we focus on possible ways to overcome corrosion problems within different application areas. In connection to SOFC technology, we develop novel nano coatings for the metallic interconnects. The aim is to increase the oxidation resistance of the interconnect steel while at the same time reduce the Cr-evap-oration.

High temperature exposure of interconnect materials for Solid

oxide fuel cells


Investigation of Chromium Volatilization from FeCr Interconnects by a Denuder Technique J. Froitzheim, H. Ravash, E. Larsson, L.-G. Johansson and J.-E. Svensson J. Electrochem. Soc. 157 (9), B1295-B1300 (2010)

Paralinear oxidation of chromium in O2+H2O environment at 600-700°C; B. Pujilaksono, T. Jonsson, M. Halvarsson, I. Panas, J.-E. Svensson and L.-G. Johansson; Oxidation of Metals, 70 (3-4), 163-188 (2008)

KCl Induced Corrosion of a 304-type Austenitic Stainless Steel at 600°C; The Role of Potassium; J. Pettersson, H. Asteman, J.-E. Svensson and L.-G. Johansson; Oxidation of Metals, 64 (1-2), 23-41 (2005)

Materials chemistry

Jan-Erik SvenssonProfessor

MSc University of GothenburgPhD University of Gothenburg


Scientific studies of soft and biological materials are strongly interdisciplinary and lie at the interface between physics, chemistry, biophysics, biochemistry, medicine and chemical engineering. In addition to pure biological materials it includes the study of polymers, emulsions, colloids and similar systems which, until fairly recently, were considered the domain of physical chemistry rather than physics. However, it is now realised that there are generic unifying principles which control the behaviour of many of these complex materials, and that these principles are physical rather than chemical in nature. Furthermore, all biological materials and also many other soft systems contain water and it is clear that it is the presence of this water that is, to a large extent, determining the material properties. Much of my research is focused on this important role of water for life and other material properties of industrial, pharmaceutical and medical impor-tance. However, we are also performing fundamental research on polymer based solid electrolytes for electrochemical energy storage devices.

The studies are mainly based on neutron scattering techniques, dielectric spec-troscopy, differential scanning calorimetry (DSC) and computational modelling methods.

Dielectric data and T-dependent relaxation

times of myoglobin in water-glycerol


A unified model of protein dynamics; H. Frauenfelder, G. Chen, J. Berendzen, P. W. Fenimore, H. Jansson, B. H. McMahon, I. Mihut-Stroe, J. Swenson and R. D. Young; Proc. Natl. Acad. Sci. USA, 106, 5129-5134 (2009)

Role of solvent for the dynamics and the glass transition of proteins; H. Jansson, R. Bergman and J. Swenson; J. Phys. Chem. B 115, 4099-4109 (2011)

Glass transition and relaxation processes of nanocomposite polymer electrolytes; B.K. Money, K. Hariharan and J. Swenson; J. Phys. Chem. B 116, 7762-7770 (2012)

Physics of soft and biological materials

Jan SwensonProfessor

MSc University of GothenburgPhD Chalmers University of Technology



Building materials have extremely great importance for sustainable development and economic growth through sustainable construction owing to their high usage of resource and structural function with requirements of long service life. Defects in materials used in buildings and infrastructures can cause catastro-phes and result in serious economic, environmental as well as social conse-quences. Cement-based materials are the most consumed solid materials in the world. From the point view of resource and environmental conservation, these materials and their life circles have great significance. My research area covers cementitious porous materials, such as concrete, and their durability, especially transport mechanisms of various aggressive substances, such as chlorides from seawater and de-icing salts, which can penetrate into porous concrete and initi-ate corrosion of reinforcement steel in concrete structures.

The RCM (Rapid Chloride Migration) test we developed for testing resistance of concrete to chloride ingress has got worldwide applications and been adopted as a standard test in many countries including Nordic, Switzerland, Germany, USA and China. We also developed a rapid technique for corrosion measurement based on electrochemical principle. We are currently developing novel concrete composites and techniques for prevention of steel in concrete structures from corrosion, which is a worldwide problem in reinforced concrete structures.

A novel covercrete for prevention of steel in concrete from corrosion


Covercrete with hybrid functions - A novel approach to durable reinforced concrete structures; L. Tang, E.Q. Zhang, Y. Fu, B. Schouenborg and J.E. Lindqvist; Materials and Corrosion, 63(11), 1119-1126 (2012

Application of LA-ICP-MS for meso-scale chloride profiling in concrete; N. Silva, T. Luping and S. Rauch; Materials and Structures, DOI: 10.1617/s11527-012-9979-y (2012)

On the mathematics of time-dependent apparent chloride diffusion coefficient in concrete; T. Luping and J. Gulikers; Cement and Concrete Research, 37(4), 589-595 (2007)

Building Materials

Luping TangProf

Lic Eng Chalmers University of Tech-nologyPhD Chalmers University of Technology


The classical hard and soft Materials in Medicine need to be improved and pose several future challenges, such as enhanced and sustained integration and vascularisation, guided wound healing and suppression of bacterial infections. To meet these challenges, surfaces are commonly modified and tested. Current modifications include then topographical-, chemical-, and pharmacological techniques.

The main interest in our research is put on pharmacological surface modifica-tions, and for the time being bisphosphonates on metal surfaces are tested in in vivo animal and human models. Other bone growth improvement materials of interest include strontium salts, calcium phosphates, and bioglasses.

In addition to the above, this group have studied during many years interactions between blood plasma and common model biomaterials, such as self assembled molecules (SAMs) on gold, titania, alumina and zirconia. It is e.g. observed that common thermal, topographic and UV-irradiation treatments can drasticly alter surface mediated coagulation and immune complement activation. The reduc-tion of surface mediated coagulation and complement is beneficial for blood compatibility.

Surface topography of a stainless steel screw after immersion in

hydrofluric acid


Protein Adsorption Studies on Model Surfaces. An Ellipsometric and Infrared Spectroscopic Approach, Review; P Tengvall, I Lundström, and B Liedberg, Biomaterials, 19, 407-422(1998)

Surface immobilized bisphosphonate improves stainless steel screw fixation in rats; P Tengvall, B Skoglund, A Askendal, and P Aspenberg, Biomaterials, 25(11), 2133-2138 (2004)

The effect of heat-or ultra violet ozone-treatment of titanium on complement deposition from human blood plasma; P Linderbäck, N Harmankaya, A Askendal, J Lausmaa, P Tengvall, Biomaterials 31, 4795-4801 (2010)

Biomaterials

Pentti TengvallProfessor

MSc Linköping UniversityPhD Linköping University



Dr Thomsen started his training as an undergraduate in medicine in the Lab-oratory of experimental cell biology with “the father” of the concept of osse-ointegration (the anchorage of titanium to bone), Professor P-I Brånemark and Professor LE Ericson (cell biologist and electron microscopist), University of Gothenburg. Following a 4-year fellowship with the Swedish Medical Research Council, he became Professor of Biomaterials in 1994. In 2000, he became the first Swedish International fellow of Biomaterials Science and Engineer-ing. He was awarded the George Winter Award for excellence in biomaterials research by the European Society for Biomaterials in 2003. His research group has pioneered the development of experimental material-tissue interfacial models for the quantitative analysis of inflammation and regeneration on the molecular, cellular and tissue levels. Novel preparation techniques of the hitherto unaccessible interface zone between materials and tissue in vivo have been introduced. This has enabled an understanding of the temporal development of osseointegration in experimental and human applications, correlating chemical, ultrastructural, biomechanical and gene expression data. Current research: the role of material properties for cell-cell communication, the role of microvesicles for inflammation, stem cell differentiation and regeneration of tissue at implants and, on the applied level, the role of material-tissue interactions for orthopaedic osseointegration.

The interface between biomaterial and tissue


The correlation between gene expression of proinflammatory markers and bone formation during osseointegration with titanium implants; O. Omar, M. Lennerås, F. Suska, L. Emanuelsson, J. Hall, A. Palmquist and P. Thomsen; Biomaterials 32(2), 374-386 (2011)

The stimulation of an osteogenic response by classical monocyte activation; O.M. Omar, C. Granéli, K. Ekström, C. Karlsson, A. Johansson, J. Lausmaa, C.L. Wexell and P. Thomsen; Biomaterials 32(32), 8190-8204 (2011)

Titanium oral implants: surface characteristics, interface biology and clinical outcome; A. Palmquist, M. Esposito, J. Lausmaa and P. Thomsen; J R Soc Interface 7(5), 515-527 (2010)

Biomaterials

Peter ThomsenProfessor

MD University of GothenburgPhD University of Gothenburg


Materials modelling and simulation aims to develop fundamental relationships between the atomic structure and properties of molecules and bulk materials as well as their surfaces and interfaces, so that advanced materials with enhanced and new properties can be designed.

My research interest is in exploring the links between the electronic structure of materials, the behaviour of their atoms, the statistical thermodynamic description and materials processes. Computational techniques such as electronic structure calculations based on the density functional theory, the quantum-mechanical path integral method, classical molecular dynamics, Monte Carlo and kinetic simulation techniques are being used.

Interface related phenomena and hydrogen motion are two central research topics. Several of our projects are also done in collaboration with experimen-talists. We have performed computational studies of proton motion in acceptor doped barium zirconate, a solid oxide that exhibit significant proton conduc-tivity at elevated temperatures. Interface properties have been investigated in relation to cemented carbides, an important composite engineering material, and density functional theory results have then been combined with thermodynamic modelling techniques. First-principles studies of the water production reaction on platinum have been performed, a prototype reaction in heterogeneous catalysis and in practical applications such as fuel cells.

Induced electron density (blue/red-increased/decreased) at a

metal-ceramic interface


Oxygen vacancy segregation and space-charge effects in grain boundaries of dry and hydrated BaZrO3; B.J. Nyman, E.E. Helgee, and G. Wahnström; Appl. Phys. Lett. 100, 061903-061906 (2012)

Theory of Ultrathin Films at Metal-Ceramic Interfaces; S.A.E. Johansson and G. Wahnström; Phil. Mag. Lett. 90, 599-609 (2010)

Path integral treatment of proton transport processes in BaZrO3; Q. Zhang, G. Wahnström, M. E. Björketun, S. Gao and E. Wang; Phys. Rev. Lett. 101, 215902-215906 (2008)

Materials Modelling and Simulation

Göran WahnströmProfessor




Semiconductor heterostructures have feature sizes in nanometer scale and are possible to be tailor-made through band engineering showing many unique electronic properties. Epitaxy is required to grow such structures with excellent control in thickness, alloy composition and doping. My research covers molecular beam epitaxy (MBE) growth of III-V semiconductors for making opto-electronic devices.

One research topic is design and fabrication of InAs/GaSb type-II superlattices for IR focal plane array photodetectors (IR digital camera) that can work e.g. in night vision at relatively high ambient temperatures with reduced production costs. The broken band-alignment of InAs/GaSb enables a large detection wavelength tuning from 2 to 30 μm from the same material by only adjusting the relative thicknesses. We have successfully demonstrated single pixel detectors at 5 μm with internal quantum efficiency above 50% on 2˝; GaSb substrates.

Another research focus is on bismuth containing materials including dilute bismides and (BiSb)2Te3 nanostructures. Dilute bismides are the least explored III-V compounds and reveal interesting physical properties theoretically like large band gap reduction and large spin-orbit split band. (BiSb)2Te3 is an important material for thermoelectric applications as well as topological insulators. The van der Waals bonding makes it possible to exfoliate (BiSb)2Te3 thin films to form graphene-like nano-sheets. We study synthesis of novel InGaSbBi and InPBi thin films and high quality Bi2Te3 thin films.

Atomic force microscope images of Bi2Te3 thin films

showing atomic steps


Dilute Nitrides and 1.3 μm GaInNAs Quantum Well Lasers on GaAs; S.M. Wang, H. Zhao, G. Adolfsson, Y.Q. Wei, Q.X. Zhao, J.S. Gustavsson, M. Sadeghi and A. Larsson; Microelectronics Journal 40, 386-391 (2009) (invited paper)

Critical Thickness and Radius for Axial Heterostructure Nanowires Using Finite Element Method; H.Ye, P.F. Lu, Z.Y. Yu, Y.X. Song, D.L. Wang and S.M. Wang; Nano Letters 9, 1921-1925 (2009)

1.58 μm InGaAs Quantum Well Lasers on GaAs; I. Tångring, H. Q. Ni, B.P. Wu, D.H. Wu, Y.H. Xiong, S.S. Huang and Z.C. Niu, S.M. Wang, Z.H. Lai, and A. Larsson; Appl. Phys. Lett. 91, 221101-221104 (2007)

Semiconductor heterostructures

Shumin WangProfessor

PhD University of GothenburgMSc Fudan University


The use of fossil fuels causes a number of environmental problems, and also their availability is diminishing. Thus, the need for clean, renewable and environ-ment-friendly new energy source is urgent. Photovoltaic technology, which can convert inexhaustible sun light into usable electricity directly, is therefore one of the most promising and key technologies to solve the energy crisis in the future. Solution-processed organic solar cells (OSCs) are promising cost-effective alternative to silicon-based solar cells because of their advantages of low-cost, light-weight, and flexibility.

The focus of my research is to develop new materials to improve the efficiency of OSCs and pave the way for their commercialization. To improve the efficien-cy, the materials must be well designed with desired properties such as high absorption coefficients, broad absorption spectra, appropriate energy levels and high mobility. Computer simulations are used to aid in the design of materials. Over the years, I have developed a wide array of polymers, several which exhibit-ed quite high efficiency in solar energy conversion. The best materials prepared in my laboratory achieved an efficiency approaching 8%, which is comparable with the current world record for single junction OSCs.

My other research interest is the synthesis of conjugated microporous polymers for carbon dioxide capture. This area of research is dedicated to the sequestra-tion of carbon dioxide emitted from fossil fuel combustion and to mitigate global warming.

A free standing con-jugated polymer film

with metal shining


An Easily Accessible Isoindigo-Based Polymer for High-Performance Polymer Solar Cells; E. Wang, Z. Ma, Z. Zhang, K. Vandewal, P. Henriksson, O. Inganäs, F. Zhang and M.R. Andersson; J. Am. Chem. Soc. 133, 14244-14247 (2011)

An Easily Synthesized Blue Polymer for High-Performance Polymer Solar Cells; E. Wang, L.T. Hou, Z.Q. Wang, S. Hellström, F.L. Zhang, O. Inganäs and M.R. Andersson; Adv. Mater., 22, 5240-5244 (2010)

Conformational Disorder Enhances Solubility and Photovoltaic Performance of a Thiophene-Quinoxaline Copolymer; E.G. Wang, J. Bergqvist, K. Vandewal, Z. Ma, L. Hou, A. Lundin, S. Himmelberger, A. Salleo, C. Müller, O. Inganäs, F. Zhang and M.R. Andersson; Advanced Energy Materials 3 (6), 806-814 (2013)

Polymer Electronics

Ergang WangAssistant Professor

BSc Zhengzhou UniveristyPhD South China University of Technology



Wood and annual plants consists of the two most abundant biopolymers on earth, cellulose and lignin. Cellulose may, from an organic chemists perspective, look as a simple polymer of linear unbranched polymer of D-glucopyranoside. It is, but, due to its structure it forms parallel aligned strands held together with intra- and intermolecular bonds. The parallel strands form sheets stacked vertically by van der Waals forces resulting in a hierarchical complex structure with segments of ordered and non-ordered parts of cellulose. By controlled acid hydrolysis the ordered parts of cellulose, so called Nanocrystalline Cellulose can be retrieved. Nano crystalline cellulose self assemble into chiral nematic phases that and show key features such as high strength, electro-magnetic response. It also has a large surface area that provide a basis for the manufacture of new and advanced materials using nanotechnology.

Nano Cellulose Chemistry


Cationic surface functionalization of cellulose nanocrystals; M. Hasani, E.D. Cranston, G. Westman and D.G. Gray; Soft Matter, 4, 2238-2244 (2008)

Regioselective cationization of cellulosic materials using an efficient solvent-minimizing spray-technique; H. de la Motte and G. Westman; Cellulose, 19, 1677-1688 (2012)

Wet Spinning of Cellulose from Ionic Liquid Solutions- Viscometry and Mechanical Properties; C. Olsson and G. Westman; Journal of Applied Polymer Science, 127, 4542-4548 (2013)

Soft Matter Synthesis

Gunnar WestmanProfessor

M.Sc. Sundsvall Mid Sweden UniversityPhD Chalmers University of Technology


Dag Winkler received his PhD in Physics at Chalmers in 1987, and spent two years as research associate at Yale University during 1988 and 1990. He became docent in 1993 at Chalmers and professor in 2000 at University of Gothenburg. 2003 he was appointed professor in physics at Chalmers University of Technology. His main research is tunneling in superconductors and supercon-ducting electronics, such as SIS and HEB high frequency mixers, flux-flow oscil-lators, SQUIDs and applications at low level measurements. His current activities include intrinsic Josephson effects in single crystal Bi2212, complex metal oxide films and heterostructures, e.g., 2D electronic properties at interfaces between LaAl2O3 and SrTiO3, and high-Tc SQUIDs for MEG and MRI applications. He has long experience in microwave technology, low temperature physics, and cryogen-ic systems. Part time he worked at ABB Corporate Research on development of cryogenic high voltage cables and low-level measurements using superconduct-ing electronics. From 1999 to 2003, he was also engaged at the Imego Institute, building up an activity on magnetic sensor systems and microwave technology. During 2006 to 2007 he was the head of the Quantum Device Physics Labora-tory. Since June 1, 2007 he is head of the Department of Microtechnology and Nanoscience - MC2, at Chalmers University of Technology.

DCA cluster system for deposi-tions of complex metal oxide films

and heterostructures


Effect of oxygen vacancies in the SrTiO3 substrate on the electrical properties of the LaAlO3/SrTiO3 interface; A. Kalabukhov, R.Gunnarsson, J.Börjesson, E.Olsson, T. Claeson and D. Winkler, Phys. Rev. B 75, 121404-121408(R) (2007)

Cationic Disorder and Phase Segregation in LaAlO3/SrTiO3 Heterointerfaces Evidenced by Medium-Energy Ion Spectroscopy; A. Kalabukhov, Yu. Boikov, I. Serenkov, V. Sakharov, V. Popok, R.Gunnarsson, J.Börjesson, E.Olsson, N. Ljustina, T. Claeson and D. Winkler; Phys. Rev. Lett. 103, 146101-146105 (2009)

Nano-patterning of the electron gas at the LaAlO3/SrTiO3 interface using low-energy ion beam irradiation; P.P. Aurino, A. Kalabukhov, N. Tuzla, E. Olsson, D. Winkler, and T. Claeson; Appl. Phys. Lett., 102, 201610-201614 (2013)

Complex metal oxide heterostructures

Dag WinklerProfessor




Graphene promises improved functionalities for many applications thanks to its exceptional electrical, optical, and mechanical properties. Chemical vapor depo-sition (CVD) of graphene is the only up-scalable process that is both inexpensive and adjustable to the nowadays semiconductor-industry process flow allowing for an uncomplicated integration of graphene in existing electronic components. CVD allows for large areas of graphene on any substrate. The focus of our research is on development of a reliable- and cost-effective platform for CVD of graphene which is comparable in quality with graphene obtained by e.g. me-chanical exfoliation of graphite or epitaxial growth on SiC. Easily scalable CVD graphene can then be used for fundamental studies and in practical devices, like field-effect transistors, light-emitting diodes, and mass-sensitive nano-electrome-chanical resonators. Our high quality CVD graphene shows the Hall-resistance quantization and therefore can readily be exploited in metrology applications. Our technology is open to any project which requires large areas of graphene.

Artistic view of graphene


The Aharonov-Bohm effect in graphene rings with metal mirrors; Y. Nam, J.S. Yoo, Y.W. Park, N. Lindvall, T. Bauch, and A. Yurgens; Carbon 50, 5562-5568 (2012)

Noncatalytic chemical vapor deposition of graphene on high-temperature substrates for transparent electrodes; J. Sun, M.T. Cole, N. Lindvall, K.B.K. Teo, and A. Yurgens; Appl. Phys. Lett. 100, 022102-022105 (2012)

Large-area uniform graphene-like thin films grown by chemical vapor deposition directly on silicon nitride; J. Sun, N. Lindvall, M.T. Cole, K.B.K. Teo, and A. Yurgens; Appl. Phys. Lett. 98, 252107-252110 (2011)

Low-dimensional electron systems

August YurgensProfessor

MSc Moscow Institute of Physics & TechnologyPhD Kapitza Institute, Russian Academy of Sciences


aleksandar matic anders palmqvist co-director responsible ......modeling of distortion during...

Documents