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dc.contributor.authorMaddox, Willie Burtonen_US
dc.date.accessioned2009-09-16T18:16:51Z
dc.date.available2009-09-16T18:16:51Z
dc.date.issued2009-09-16T18:16:51Z
dc.date.submittedJanuary 2009en_US
dc.identifier.otherDISS-10203en_US
dc.identifier.urihttp://hdl.handle.net/10106/1657
dc.description.abstractThe 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.sponsorshipFazleev, Nailen_US
dc.language.isoENen_US
dc.publisherPhysicsen_US
dc.titleTheoretical Study Of Electronic Properties Of The Cu(001) Surface Under Conditions Of High Coverage Oxidationen_US
dc.typeM.S.en_US
dc.contributor.committeeChairFazleev, Nailen_US
dc.degree.departmentPhysicsen_US
dc.degree.disciplinePhysicsen_US
dc.degree.grantorUniversity of Texas at Arlingtonen_US
dc.degree.levelmastersen_US
dc.degree.nameM.S.en_US
dc.identifier.externalLinkhttps://www.uta.edu/ra/real/editprofile.php?onlyview=1&pid=111
dc.identifier.externalLinkDescriptionLink to Research Profiles


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