most citedA comparative study of CO adsorption on flat, stepped and kinked Au surfaces using density functional theory

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cond-mat.mtrl-sci2008★ 57 cited

A comparative study of CO adsorption on flat, stepped and kinked Au surfaces using density functional theory

F. Mehmood, A. Kara, T. S. Rahman +1

Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination…