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Theoretical Study Of Electronic Properties Of The Cu(001) Surface Under Conditions Of High Coverage Oxidation

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Theoretical Study Of Electronic Properties Of The Cu(001) Surface Under Conditions Of High Coverage Oxidation

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dc.contributor.author Maddox, Willie Burton en_US
dc.date.accessioned 2009-09-16T18:16:51Z
dc.date.available 2009-09-16T18:16:51Z
dc.date.issued 2009-09-16T18:16:51Z
dc.date.submitted January 2009 en_US
dc.identifier.other DISS-10203 en_US
dc.identifier.uri http://hdl.handle.net/10106/1657
dc.description.abstract The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on oxidized transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which result from the diffusion of oxygen into sub-surface regions. In this thesis, an textit{ab-initio} investigation of stability and associated physical and electronic properties of different adsorption phases of oxygen on Cu(001) as well as of the clean Cu surfaces using density functional theory in the generalized gradient approximation, is presented. All surface geometries are fully optimized. Results of calculation include the changes in electron work function, interlayer spacing, difference electron density and density of states as a function of oxygen coverage. Furthermore, the chemistry of metal-adsorbate bonding is studied with primary interest being paid to high coverage oxygen adsorption. en_US
dc.description.sponsorship Fazleev, Nail en_US
dc.language.iso EN en_US
dc.publisher Physics en_US
dc.title Theoretical Study Of Electronic Properties Of The Cu(001) Surface Under Conditions Of High Coverage Oxidation en_US
dc.type M.S. en_US
dc.contributor.committeeChair Fazleev, Nail en_US
dc.degree.department Physics en_US
dc.degree.discipline Physics en_US
dc.degree.grantor University of Texas at Arlington en_US
dc.degree.level masters en_US
dc.degree.name M.S. en_US
dc.identifier.externalLink https://www.uta.edu/ra/real/editprofile.php?onlyview=1&pid=111
dc.identifier.externalLinkDescription Link to Research Profiles

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