kosuke shobatake - toyota riken€¦ · kosuke shobatake information on the potential energy...

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Experimental Determination of Potential Energy Surfaces that Govern Catalytic Surface Reactions Kosuke SHOBATAKE Information on the potential energy surfaces (PES) relevant to the surface reactions is essential in predicting the reaction rates and dynamics of the surface reactions proceeding on the inhomogeneous catalyst surfaces. Experimental determinations of PES parameters for bimolecular catalytic inhomogeneous reactions have been carried out from the measurement of reaction rate constants as a function of temperature. However recently it was been pointed that the surface reactions proceed in the surface environment in which the constituents on the surface are not so simplistically identified and that the surface adsorbates and structures should be determined. It is pointed out here that, although the surface structure determination is important for understanding what is going on the catalytic surfaces, the potential energy surfaces (PES) relevant to the surface bimolecular reactions can be determined experimentally from the studies of chemical reaction dynamics. The examples are presented on the determinations of velocity distributions of the desorbed reaction products for the reduction reactions of NO and N 2 O on the single crystal surfaces forming N 2 and N 2 O as well as CO 2 in the case of CO as a reducing agent. We also present the present status of the reaction dynamic study on the Eley-Rideal reaction of hyperthermal gaseous CO molecules with O or O 2 adsorbed on Pt(111) surface.

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Page 1: Kosuke SHOBATAKE - TOYOTA RIKEN€¦ · Kosuke SHOBATAKE Information on the potential energy surfaces (PES) relevant to the surface reactions is essential in predicting the reaction

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Experimental Determination of Potential Energy Surfaces

that Govern Catalytic Surface Reactions

Kosuke SHOBATAKE

Information on the potential energy surfaces (PES) relevant to the surface reactions is

essential in predicting the reaction rates and dynamics of the surface reactions proceeding on

the inhomogeneous catalyst surfaces. Experimental determinations of PES parameters for

bimolecular catalytic inhomogeneous reactions have been carried out from the measurement

of reaction rate constants as a function of temperature. However recently it was been pointed

that the surface reactions proceed in the surface environment in which the constituents on the

surface are not so simplistically identified and that the surface adsorbates and structures should

be determined. It is pointed out here that, although the surface structure determination is

important for understanding what is going on the catalytic surfaces, the potential energy

surfaces (PES) relevant to the surface bimolecular reactions can be determined experimentally

from the studies of chemical reaction dynamics. The examples are presented on the

determinations of velocity distributions of the desorbed reaction products for the reduction

reactions of NO and N2O on the single crystal surfaces forming N

2 and N

2O as well as CO

2 in

the case of CO as a reducing agent. We also present the present status of the reaction dynamic

study on the Eley-Rideal reaction of hyperthermal gaseous CO molecules with O or O2

adsorbed on Pt(111) surface.

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