Title:
Theoretical investigation of polar zinc oxide surface modification via phosphonic acid self-assembled monolayers

Simple item page
dc.contributor.advisor Brédas, Jean-Luc
dc.contributor.author Wood, Christopher Alan en_US
dc.contributor.committeeMember Bongiorno, Angelo
dc.contributor.committeeMember Sherrill, David
dc.contributor.department Chemistry and Biochemistry en_US
dc.date.accessioned 2012-06-06T16:42:54Z
dc.date.available 2012-06-06T16:42:54Z
dc.date.issued 2012-01-17 en_US
dc.description.abstract The interface of a zinc-terminated polar zinc oxide surface (0002) with a series of chemisorbed fluorinated benzylphosphonic acids has been studied using density functional theory. The calculations indicate that there is a substantial change in the binding energies and work function modification depending on the binding motif. The results also indicate that there is a pronounced difference in the magnitude and trends of the factors determining the total change in work function. The oxygen core-level binding shifts have been calculated and compared to available experimental data. en_US
dc.description.degree MS en_US
dc.identifier.uri http://hdl.handle.net/1853/43584
dc.publisher Georgia Institute of Technology en_US
dc.subject Density functional theory en_US
dc.subject.lcsh Functional analysis
dc.subject.lcsh Density functionals
dc.subject.lcsh Phosphonic acids
dc.subject.lcsh Organic acids
dc.subject.lcsh Organic electronics
dc.title Theoretical investigation of polar zinc oxide surface modification via phosphonic acid self-assembled monolayers en_US
dc.type Text
dc.type.genre Thesis
dspace.entity.type Publication
local.contributor.advisor Brédas, Jean-Luc
local.contributor.corporatename School of Chemistry and Biochemistry
local.contributor.corporatename College of Sciences
relation.isAdvisorOfPublication 4d846669-7bb3-480a-8267-9b1cd9ff38d2
relation.isOrgUnitOfPublication f1725b93-3ab8-4c47-a4c3-3596c03d6f1e
relation.isOrgUnitOfPublication 85042be6-2d68-4e07-b384-e1f908fae48a
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
wood_christopher_a_201205_mast.pdf
Size:
2.23 MB
Format:
Adobe Portable Document Format
Description:
Download
Collections
Theses and Dissertations