Title:
Theoretical investigation of polar zinc oxide surface modification via phosphonic acid self-assembled monolayers
Theoretical investigation of polar zinc oxide surface modification via phosphonic acid self-assembled monolayers
Author(s)
Wood, Christopher Alan
Advisor(s)
Brédas, Jean-Luc
Editor(s)
Collections
Supplementary to
Permanent Link
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.
Sponsor
Date Issued
2012-01-17
Extent
Resource Type
Text
Resource Subtype
Thesis