Hydrogen abstraction from metal surfaces: when electron–hole pair excitations strongly affect hot-atom recombination

Literature Information

Publication Date 2016-10-21
DOI 10.1039/C6CP06222A
Impact Factor 3.676
Authors

Rémi Pétuya, Fabio Busnengo


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Abstract

Using molecular dynamics simulations, we predict that the inclusion of nonadiabatic electronic excitations influences the dynamics of preadsorbed hydrogen abstraction from the W(110) surface by hydrogen scattering. The hot-atom recombination, which involves hyperthermal diffusion of the impinging atom on the surface, is significantly affected by the dissipation of energy mediated by electron–hole pair excitations at low coverage and low incidence energy. This issue is of importance as this abstraction mechanism is thought to largely contribute to molecular hydrogen formation from metal surfaces.

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Contents

Front/Back Matter

DOI: 10.1039/B0RP90011G

News & Views

Paper

DOI: 10.1039/B008754H

GSC TOKYO 2003

2003-09-18 News

DOI: 10.1039/B307225H

Denny Hjeresen

2003-07-16 Profile

DOI: 10.1039/B305716J

Glossary of abbreviations

Other

DOI: 10.1039/JA995100310R

Glossary of abbreviations

Other

DOI: 10.1039/JA995100423R

GSC Tokyo Statement

2003-09-18 News

DOI: 10.1039/B304889F

Back cover

Other

DOI: 10.1039/CS99019BX015

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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