{"id":{"repo_id":"vt","oai_identifier":"oai:vtechworks.lib.vt.edu:10919/45628"},"canonical_url":"https://search.dev.ndltd.org/etd/vt/oai:vtechworks.lib.vt.edu:10919/45628","repository":{"repo_id":"vt","name":"Virginia Tech","base_url":"https://vtechworks.lib.vt.edu/oai/request"},"display":{"title":"Adsorption of water and carbon monoxide on Cu₂O(111) single crystal surfaces","abstract":"Water and CO adsorptions were studied over the stoichiometric and the oxygen-deficient Cu₂O(111) surfaces, using thermal desorption spectroscopy (TDS), ultraviolet photoelectron spectroscopy (UPS), and X-ray photoelectron spectroscopy (XPS). Water is the only desorbing species detected in TDS and the extent of dissociation is unaffected by the surface condition: ≃ 0.25 monolayers of water dissociate on Cu₂O(111) regardless of surface condition. The local defect environment around oxygen vacancies does not play a significant role in the activity of the Cu₂O(111) surface for the dissociation of water. CO is found to bind molecularly to the surface through the carbon atom and with a heat of adsorption of 22 kcal/mol, higher value than that of CO on Cu₂O(100) (16.7 kcal/mol). This suggests that the local geometry of adsorption sites may play an important role in the way CO binds to Cu₂O surfaces. Electronic changes upon CO adsorption and the higher heat of adsorption indicate an increased σ-donor character for CO, with some π-backbonding interactions. The local defect environment around oxygen vacancies does not appear to affect CO adsorption on Cu₂O(111) surfaces.","abstract_html":"Water and CO adsorptions were studied over the stoichiometric and the oxygen-deficient Cu₂O(111) surfaces, using thermal desorption spectroscopy (TDS), ultraviolet photoelectron spectroscopy (UPS), and X-ray photoelectron spectroscopy (XPS). Water is the only desorbing species detected in TDS and the extent of dissociation is unaffected by the surface condition: ≃ 0.25 monolayers of water dissociate on Cu₂O(111) regardless of surface condition. The local defect environment around oxygen vacancies does not play a significant role in the activity of the Cu₂O(111) surface for the dissociation of water. CO is found to bind molecularly to the surface through the carbon atom and with a heat of adsorption of 22 kcal/mol, higher value than that of CO on Cu₂O(100) (16.7 kcal/mol). This suggests that the local geometry of adsorption sites may play an important role in the way CO binds to Cu₂O surfaces. Electronic changes upon CO adsorption and the higher heat of adsorption indicate an increased σ-donor character for CO, with some π-backbonding interactions. The local defect environment around oxygen vacancies does not appear to affect CO adsorption on Cu₂O(111) surfaces.","abstract_has_math":false,"creators":["Christiaen, Anne-Claire"],"institution":"Virginia Tech","degree_name":"Master of Science","degree_level":"masters","degree_discipline":"Chemical Engineering","degree_department":"Chemical Engineering","school":null,"contributors":[],"advisors":[],"committee_chairs":["Cox, David F."],"committee_members":["Marand, Eva","Oyama, Shigeo Ted"],"year":1994,"date_issued":"1994-08-04","date_published":"1994-08-04","updated_at":"2026-07-22T22:19:47Z","subjects":[],"languages":["en"],"rights":["In Copyright"],"rights_urls":["http://rightsstatements.org/vocab/InC/1.0/"],"identifier_entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-11102009-020324"],"render_values":[{"text":"etd-11102009-020324","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/10919/45628","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.committeechair","label":"Committee Chair","values":["Cox, David F."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Marand, Eva","Oyama, Shigeo Ted"]},{"key":"dc:contributor.department","label":"Department","values":["Chemical Engineering"]},{"key":"dc:creator","label":"Author","values":["Christiaen, Anne-Claire"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2014-03-14T21:49:29Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2014-03-14T21:49:29Z","2009-11-10"]},{"key":"dc:date.issued","label":"Date","values":["1994-08-04"]},{"key":"dc:publisher","label":"Institution","values":["Virginia Tech"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"dc:type.dcmitype","label":"Dc Type Dcmitype","values":["Text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["masters"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Master of Science"]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["Virginia Polytechnic Institute and State University"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["In Copyright"]},{"key":"dc:rights.uri","label":"Rights URI","values":["http://rightsstatements.org/vocab/InC/1.0/"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-11102009-020324"]},{"key":"dc:identifier.uri","label":"Identifier URI","values":["http://hdl.handle.net/10919/45628"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description.abstract","label":"Abstract","values":["Water and CO adsorptions were studied over the stoichiometric and the oxygen-deficient Cu₂O(111) surfaces, using thermal desorption spectroscopy (TDS), ultraviolet photoelectron spectroscopy (UPS), and X-ray photoelectron spectroscopy (XPS). Water is the only desorbing species detected in TDS and the extent of dissociation is unaffected by the surface condition: ≃ 0.25 monolayers of water dissociate on Cu₂O(111) regardless of surface condition. The local defect environment around oxygen vacancies does not play a significant role in the activity of the Cu₂O(111) surface for the dissociation of water. CO is found to bind molecularly to the surface through the carbon atom and with a heat of adsorption of 22 kcal/mol, higher value than that of CO on Cu₂O(100) (16.7 kcal/mol). This suggests that the local geometry of adsorption sites may play an important role in the way CO binds to Cu₂O surfaces. Electronic changes upon CO adsorption and the higher heat of adsorption indicate an increased σ-donor character for CO, with some π-backbonding interactions. The local defect environment around oxygen vacancies does not appear to affect CO adsorption on Cu₂O(111) surfaces."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["Master of Science"]},{"key":"dc:format.medium","label":"Dc Format Medium","values":["BTD"]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Adsorption of water and carbon monoxide on Cu₂O(111) single crystal surfaces"]}]}],"canonical_facts":{"dc:contributor.committeechair":["Cox, David F."],"dc:contributor.committeemember":["Marand, Eva","Oyama, Shigeo Ted"],"dc:contributor.department":["Chemical Engineering"],"dc:creator":["Christiaen, Anne-Claire"],"dc:date.accessioned":["2014-03-14T21:49:29Z"],"dc:date.available":["2014-03-14T21:49:29Z","2009-11-10"],"dc:date.issued":["1994-08-04"],"dc:description.abstract":["Water and CO adsorptions were studied over the stoichiometric and the oxygen-deficient Cu₂O(111) surfaces, using thermal desorption spectroscopy (TDS), ultraviolet photoelectron spectroscopy (UPS), and X-ray photoelectron spectroscopy (XPS). 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