C-, N-, S-, and F-Doped Anatase TiO2 (101) with Oxygen Vacancies: Photocatalysts Active in the Visible Region

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AudienciaPúblico en generales_ES
CoberturaMéxicoes_ES
Fecha de ingreso2026-09-15T00:29:51Z
Fecha de publicación2018-01-01
ResumenAnatase TiO2 presents a large bandgap of 3.2 eV, which inhibits the use of visible light radiation (λ > 387 nm) for generating charge carriers. We studied the activation of TiO2 (101) anatase with visible light by doping with C, N, S, and F atoms. For this purpose, density functional theory and the Hubbard U approach are used. We identify two ways for activating the TiO2 with visible light. The first mechanism is broadening the valence or conduction band; for example, in the S-doped TiO2 (101) system, the valence band is broadened. A similar process can occur in the conduction band when the undercoordinated Ti atoms are exposed on the TiO2 (101) surface. The second mechanism, and more efficient for activating the anatase, is to generate localized states in the gap: N-doping creates localized empty states in the bandgap. For C-doping, the surface TiO2 (101) presents a “cleaner” gap than the bulk TiO2, resulting in fewer recombination centers. The dopant valence electrons determine the number and position of the localized states in the bandgap. The formation of charge carriers with visible light is highly favored by the oxygen vacancies on TiO2 (101). The catalytic activity of C-doping using visible radiation can be explained by its high absorption intensity generated by oxygen vacancies on the surface. The intensity of the visible absorption spectrum of doped TiO2 (101) follows the order: C > N > F > S dopant.es_ES
Doihttps://doi.org/10.1155/2018/7506151es_ES
URIhttps://riuat.uat.edu.mx/handle/123456789/1830
Idiomaeses_ES
EditorialWileyes_ES
RelaciónInternational Journal of Photoenergyes_ES
URL relacionadohttps://doi.org/10.1155/2018/7506151es_ES
DerechosAcceso abierto (Metadatos de producción científica)es_ES
Licenciahttp://purl.org/coar/access_right/c_abf2es_ES
FuenteInternational Journal of Photoenergy
TítuloC-, N-, S-, and F-Doped Anatase TiO2 (101) with Oxygen Vacancies: Photocatalysts Active in the Visible Regiones_ES
TipoArtículoes_ES
ArbitradoHa sido Arbitradoes_ES
AutorGonzález-Torres, Julio César
AutorPoulain, Enrique
AutorDomínguez-Soria, Víctor
AutorGarcía-Cruz, Raúl
AutorOlvera-Neria, Oscar
AutorGonzález-Torres, Julio Césares_ES
AutorPoulain, Enriquees_ES
AutorDomínguez-Soria, Víctores_ES
AutorGarcía-Cruz, Raúles_ES
AutorOlvera-Neria, Oscares_ES
InstituciónUniversidad Autónoma de Tamaulipas
InstituciónUniversidad Autónoma de Tamaulipases_ES
Rango de páginas1-12es_ES
URL relacionadahttps://doi.org/10.1155/2018/7506151
Tipo de artículoIndexado
Tipo de artículoIndexadoes_ES
Volumen2018es_ES

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