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Title:Oxygen self-diffusion via a mobile intermediate species in rutile titania
Author(s):Pangan-Okimoto, Kristine
Advisor(s):Seebauer, Edmund G.
Department / Program:Chemical and Biomolecular Engineering
Discipline:Chemical Engineering
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Defect Engineering
Titanium Dioxide (TiO2)
Abstract:Recent work in this laboratory has found that an atomically clean (110) surface on rutile titania allows for facile injection of a mobile oxygen intermediate other than the doubly-charged oxygen vacancy. Characteristic exponential tail profiles coupled with the observation of a positive oxygen partial pressure dependence on isotopic oxygen diffusion in rutile suggests that the observed mobile oxygen intermediate is a negatively charged oxygen interstitial (Oix-). Two modeling techniques are utilized to kinetically simulate the concentration profiles observed. Both models predict bulk isotopic oxygen diffusion that is highly dependent on the ability of the surface to inject and annihilate oxygen interstitials into the bulk. Additionally, modeling of the experimental profiles suggest that oxygen interstitials have equilibrium concentrations one to two orders of magnitude larger than that predicted by quantum calculations. Methods to effectively control the equilibrium concentration of oxygen interstitials via surface manipulation are suggested that may be utilized to effectively p-dope rutile titania.
Issue Date:2014-01-16
Rights Information:Copyright 2013 Kristine Pangan-Okimoto
Date Available in IDEALS:2014-01-16
Date Deposited:2013-12

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