{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/84155"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/84155","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Dioxygen Electroreduction on Electrode Surfaces","abstract":"Finally, thiocyanate (SCN) adsorption on Au electrode is examined. Both the calculations and the spectroscopy show that three different geometries are adopted by SCN in the potential region studied (0.0 V ≤ E ≤ 1.2 V vs. NHE). At low potential both N-bound and S-bound forms are found, at intermediate potentials around Epzc the S-bound form dominates, and at high potentials SCN associates with the surface via a bridging geometry. The different Stark slopes observed for the C-N stretch in the end-on and bridging forms are attributed to the lowest unoccupied molecular orbital (LUMO).","abstract_html":"Finally, thiocyanate (SCN) adsorption on Au electrode is examined. Both the calculations and the spectroscopy show that three different geometries are adopted by SCN in the potential region studied (0.0 V ≤ E ≤ 1.2 V vs. NHE). At low potential both N-bound and S-bound forms are found, at intermediate potentials around Epzc the S-bound form dominates, and at high potentials SCN associates with the surface via a bridging geometry. The different Stark slopes observed for the C-N stretch in the end-on and bridging forms are attributed to the lowest unoccupied molecular orbital (LUMO).","abstract_has_math":false,"creators":["Xiao, Li"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemistry","degree_department":null,"school":null,"contributors":["Gewirth, Andrew A."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2015,"date_issued":"2015-09-25T22:13:14Z","date_published":"2015-09-25T22:13:14Z","updated_at":"2026-07-22T22:26:22Z","subjects":["Chemistry, Analytical"],"languages":["eng"],"rights":[],"rights_urls":[],"identifier_entries":[{"key":"dc:identifier","label":"Identifier","values":["(MiAaPQ)AAI3153362"],"render_values":[{"text":"(MiAaPQ)AAI3153362","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/2142/84155","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Gewirth, Andrew A."]},{"key":"dc:creator","label":"Author","values":["Xiao, Li"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2015-09-25T22:13:14Z","10000-01-01","2004"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemistry"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"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":["Chemistry, Analytical"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["eng"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/84155","(MiAaPQ)AAI3153362"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Finally, thiocyanate (SCN) adsorption on Au electrode is examined. Both the calculations and the spectroscopy show that three different geometries are adopted by SCN in the potential region studied (0.0 V ≤ E ≤ 1.2 V vs. NHE). At low potential both N-bound and S-bound forms are found, at intermediate potentials around Epzc the S-bound form dominates, and at high potentials SCN associates with the surface via a bridging geometry. The different Stark slopes observed for the C-N stretch in the end-on and bridging forms are attributed to the lowest unoccupied molecular orbital (LUMO).","Made available in DSpace on 2015-09-25T22:13:14Z (GMT). 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Both the calculations and the spectroscopy show that three different geometries are adopted by SCN in the potential region studied (0.0 V ≤ E ≤ 1.2 V vs. NHE). At low potential both N-bound and S-bound forms are found, at intermediate potentials around Epzc the S-bound form dominates, and at high potentials SCN associates with the surface via a bridging geometry. The different Stark slopes observed for the C-N stretch in the end-on and bridging forms are attributed to the lowest unoccupied molecular orbital (LUMO).","Made available in DSpace on 2015-09-25T22:13:14Z (GMT). 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