Steering and ro-vibrational effects in the dissociative adsorption and associative desorption of H2/Pd(100)

Abstract

The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum dynamical calculations using a potential energy surface derived from ab initio calculations for the system H2/Pd(100) we show… (More)

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Cite this paper

@inproceedings{Gro1997SteeringAR, title={Steering and ro-vibrational effects in the dissociative adsorption and associative desorption of H2/Pd(100)}, author={Axel Gro\ss and Matthias Scheffler}, year={1997} }