The effect of surface symmetry on the adsorption energetics of SCH3 on gold surfaces studied using Density Functional Theory

UTSePress Research/Manakin Repository

Search UTSePress Research


Advanced Search

Browse

My Account

Show simple item record

dc.contributor.author Masens, Carl en_US
dc.contributor.author Cortie, Michael en_US
dc.contributor.author Ford, Mike en_US
dc.date.accessioned 2009-06-26T04:10:26Z
dc.date.available 2009-06-26T04:10:26Z
dc.date.issued 2005 en_US
dc.identifier 2005000691 en_US
dc.identifier.citation Masens Carl, Ford Michael, and Cortie Michael 2005, 'The effect of surface symmetry on the adsorption energetics of SCH3 on gold surfaces studied using Density Functional Theory', Elsevier Science Bv, vol. 580, no. 1-3, pp. 19-29. en_US
dc.identifier.issn 0039-6028 en_US
dc.identifier.other C1 en_US
dc.identifier.uri http://hdl.handle.net/10453/358
dc.description.abstract Adsorption of methanethiol onto the three, high symmetry gold surfaces has been studied at the density functional level using a linear combination of atomic orbitals approach. In all three cases the bond energy between the thiolate radical and surface is en_US
dc.publisher Elsevier Science Bv en_US
dc.relation.hasversion Accepted manuscript version
dc.relation.isbasedon http://dx.doi.org/10.1016/j.susc.2005.01.047 en_US
dc.rights NOTICE: this is the author’s version of a work that was accepted for publication in Surface Science. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Surface Science, Volume 580, Issues 1–3, 10 April 2005, Pages 19–29 DOI# http://dx.doi.org/10.1016/j.susc.2005.01.047
dc.title The effect of surface symmetry on the adsorption energetics of SCH3 on gold surfaces studied using Density Functional Theory en_US
dc.parent Surface Science en_US
dc.journal.volume 580 en_US
dc.journal.number 1-3 en_US
dc.publocation Amsterdam, Netherlands en_US
dc.identifier.startpage 19 en_US
dc.identifier.endpage 29 en_US
dc.cauo.name INT en_US
dc.conference Verified OK en_US
dc.for 030603 en_US
dc.personcode 94109194 en_US
dc.personcode 020323 en_US
dc.personcode 020302 en_US
dc.percentage 50 en_US
dc.classification.name Colloid and Surface Chemistry en_US
dc.classification.type FOR-08 en_US
dc.custom 2.168 en_US
dc.description.keywords density functional calculations; surface chemical reaction; gold; carbon; sulphur; hydrogen; tbiol; adatoms en_US
dc.staffid 020302 en_US


Files in this item

This item appears in the following Collection(s)

Show simple item record