{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/46803"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/46803","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Oxygen self-diffusion via a mobile intermediate species in rutile titania","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.","abstract_html":"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.","abstract_has_math":false,"creators":["Pangan-Okimoto, Kristine"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Chemical Engineering","degree_department":null,"school":null,"contributors":["Seebauer, Edmund G."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2014,"date_issued":"2014-01-16T18:16:33Z","date_published":"2014-01-16T18:16:33Z","updated_at":"2026-07-22T22:25:36Z","subjects":["Defect Engineering","Titanium Dioxide (TiO2)","Semiconductors"],"languages":["en"],"rights":["Copyright 2013 Kristine Pangan-Okimoto"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/46803","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Seebauer, Edmund G."]},{"key":"dc:creator","label":"Author","values":["Pangan-Okimoto, Kristine"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2014-01-16T18:16:33Z","2016-01-16T11:01:23Z","2013-12"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Defect Engineering","Titanium Dioxide (TiO2)","Semiconductors"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2013 Kristine Pangan-Okimoto"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/46803"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["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.","Item withdrawn by Laura Spradlin (lspradl2@illinois.edu) on 2013-12-13T15:51:52Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Panganokimoto_Kristine.pdf: 2712322 bytes, checksum: e43b12e9334d7d3ecb803bbeb4af5141 (MD5)","Made available in DSpace on 2014-01-16T18:16:33Z (GMT). No. of bitstreams: 2 Kristine_Pangan-Okimoto.pdf: 2714071 bytes, checksum: ae41c072a24e37d95888560405305895 (MD5) license.txt: 4073 bytes, checksum: 34b57206075a37ee6ce5ec208a49be55 (MD5)","Restriction data tranferred 2014-07-01T11:35:32-05:00 Original Data Group with Access UIUC Users [automated] Release Date: 2016-01-16 12:19:34 UTC Reason: Author requested U of Illinois access only (OA after 2yrs) in Vireo ETD system","Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Seth Robbins (robbins.sd@gmail.com) on 2014-01-16T18:19:37Z Item is restricted until 2016-01-16T18:19:34Z","U of I Only Restriction Lifted for Item 46822 on 2016-01-16T11:01:23Z."]},{"key":"dc:title","label":"Title","values":["Oxygen self-diffusion via a mobile intermediate species in rutile titania"]}]}],"canonical_facts":{"dc:contributor":["Seebauer, Edmund G."],"dc:creator":["Pangan-Okimoto, Kristine"],"dc:date":["2014-01-16T18:16:33Z","2016-01-16T11:01:23Z","2013-12"],"dc:description":["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.","Item withdrawn by Laura Spradlin (lspradl2@illinois.edu) on 2013-12-13T15:51:52Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Panganokimoto_Kristine.pdf: 2712322 bytes, checksum: e43b12e9334d7d3ecb803bbeb4af5141 (MD5)","Made available in DSpace on 2014-01-16T18:16:33Z (GMT). No. of bitstreams: 2 Kristine_Pangan-Okimoto.pdf: 2714071 bytes, checksum: ae41c072a24e37d95888560405305895 (MD5) license.txt: 4073 bytes, checksum: 34b57206075a37ee6ce5ec208a49be55 (MD5)","Restriction data tranferred 2014-07-01T11:35:32-05:00 Original Data Group with Access UIUC Users [automated] Release Date: 2016-01-16 12:19:34 UTC Reason: Author requested U of Illinois access only (OA after 2yrs) in Vireo ETD system","Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Seth Robbins (robbins.sd@gmail.com) on 2014-01-16T18:19:37Z Item is restricted until 2016-01-16T18:19:34Z","U of I Only Restriction Lifted for Item 46822 on 2016-01-16T11:01:23Z."],"dc:identifier":["http://hdl.handle.net/2142/46803"],"dc:language":["en"],"dc:rights":["Copyright 2013 Kristine Pangan-Okimoto"],"dc:subject":["Defect Engineering","Titanium Dioxide (TiO2)","Semiconductors"],"dc:title":["Oxygen self-diffusion via a mobile intermediate species in rutile titania"],"dc:type":["text"],"thesis:degree_discipline":["Chemical Engineering"],"thesis:degree_level":["Thesis"],"thesis:degree_name":["M.S."],"thesis:institution_name":["University of Illinois at Urbana-Champaign"]},"updated_at":"2026-07-22T22:25:36Z"}