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Coverage dependence of oxygen decomposition and surface diffusion on rhodium (111): A DFT study

Abstract:

A systematic study of oxygen adsorption, decomposition and diffusion on Rh(111) and its dependence on coadsorbed oxygen molecules has been performed using density functional theory calculations. First, the bonding strength between metal surface and adsorbed oxygen molecules has been studied as a function of initial oxygen coverage. The bonding strength decreases with increasing oxygen coverage, which points towards a self-inhibition of the adsorption process. The potential energy hypersurface...

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Publisher copy:
10.1063/1.1835891

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Role:
Author
Journal:
Journal of Chemical Physics More from this journal
Volume:
122
Issue:
3
Publication date:
2005-01-01
DOI:
ISSN:
0021-9606
Language:
English
Pubs id:
pubs:281737
UUID:
uuid:f6c50fbe-6038-4627-b866-03c1c789e6f1
Local pid:
pubs:281737
Source identifiers:
281737
Deposit date:
2013-11-17

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