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Adsorbate-localized states at water-covered (100) SrTiO3 surfaces

Lookup NU author(s): Dr Alexandra Carvalho, Professor Patrick Briddon


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The electronic structure of hydrated SrTiO3 (001) surfaces is investigated using density-functional models. It is shown that adsorbed water molecules give rise to unoccupied electron states similar in localization and shape to wet-electron states recently reported for other oxide-water interfaces, and believed to serve as a preferred path for transfer of conduction electrons to the surface water molecules. Additionally, we found that chemisorbed water and hydrogen have donor levels in the band gap, and that chemisorbed hydrogen is oxidized and released in the presence of free holes. These gap states can serve as surface recombination centers in photoelectrochemical cells. (C) 2011 American Institute of Physics. [doi:10.1063/1.3529473]

Publication metadata

Author(s): Raghavan S, Carvalho A, Le Formal F, Setter N, Oberg S, Briddon PR

Publication type: Article

Publication status: Published

Journal: Applied Physics Letters

Year: 2011

Volume: 98

Issue: 1

Print publication date: 04/01/2011

ISSN (print): 0003-6951

ISSN (electronic): 1520-8842

Publisher: American Institute of Physics


DOI: 10.1063/1.3529473


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Funder referenceFunder name
Swiss National Science Foundation
FCT Portugal
MRTN-CT-2006-032474Marie-Curie Research Training Network