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Computational analysis of hydroxyl effects on metal oxide surfaces
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Harrell, Jaren. Computational analysis of hydroxyl effects on metal oxide surfaces. Retrieved from https://doi.org/doi:10.7282/T3HM5BPZ

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TitleComputational analysis of hydroxyl effects on metal oxide surfaces
NameHarrell, Jaren (author); Pavanello, Michele (chair); Piotrowiak, Piotr (internal member); Huskey, Phil (internal member); Rutgers University; Graduate School - Newark
Date Created2016
Other Date2016-05 (degree)
SubjectChemistry, Metallic oxides
Extent1 online resource (iii, 123 p. : ill.)
DescriptionUsing density functional theory (DFT), we analyzed the bulk and surface structures of metal oxides and the effects on the degree of hydoxylation. We computed the density of states of the model cells to see how the electronic structure is related to the surface morphology.
NoteM.S.
NoteIncludes bibliographical references
Noteby Jaren Harrell
Genretheses, ETD graduate
Persistent URLhttps://doi.org/doi:10.7282/T3HM5BPZ
Languageeng
CollectionGraduate School - Newark Electronic Theses and Dissertations
Organization NameRutgers, The State University of New Jersey
RightsThe author owns the copyright to this work.
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