Adsorption of Benzene on Copper, Silver, and Gold Surfaces

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Adsorption of Benzene on Copper, Silver, and Gold Surfaces

The adsorption of benzene on the Cu(111), Ag(111), Au(111), and Cu(110) surfaces at low coverage is modeled using density-functional theory (DFT) using periodic-slab models of the surfaces as well as using both DFT and complete-active-space self-consistent field theory with second-order M-r-Plesset...

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Bibliographic Details
Main Authors:	Bilic, Ante, Reimers, J., Hush, N., Hoft, R., Ford, M.
Format:	Journal Article
Published:	American Chemical Society 2006
Online Access:	http://pubs.acs.org/journals/jctcce/index.html http://hdl.handle.net/20.500.11937/9502

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