Mostrando 5 resultados de: 5
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Article(5)
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Journal of Chemical Theory and Computation(3)
ACS Catalysis(1)
Computational and Theoretical Chemistry(1)
Comparing Quasiparticle H<inf>2</inf>O Level Alignment on Anatase and Rutile TiO<inf>2</inf>
ArticleAbstract: Knowledge of the alignment of molecular frontier levels in the ground state can be used to pbkp_rediPalabras claves:G W calculations 0 0, hole trapping, photocatalysis, photooxidation, Titania, water splittingAutores:Duncan John Mowbray, Migani A., Petek H., Rubio A., Sun H., Zhao J.Fuentes:scopusCoverage dependence of the level alignment for methanol on TiO<inf>2</inf>(110)
ArticleAbstract: Electronic level alignment at the interface between an adsorbed molecular layer and a semiconductingPalabras claves:HOMO, Level alignment, photocatalysis, Two photon photoemission, Ultraviolet photoemission spectroscopy, Wet electron levelAutores:Duncan John Mowbray, Migani A.Fuentes:scopusOptical Absorption Spectra and Excitons of Dye-Substrate Interfaces: Catechol on TiO<inf>2</inf>(110)
ArticleAbstract: Optimizing the photovoltaic efficiency of dye-sensitized solar cells (DSSC) based on staggered gap hPalabras claves:Autores:Duncan John Mowbray, Migani A.Fuentes:googlescopusQuasiparticle interfacial level alignment of highly hybridized frontier levels: H<inf>2</inf>O on TiO<inf>2</inf>(110)
ArticleAbstract: Knowledge of the frontier levels' alignment prior to photoirradiation is necessary to achieve a compPalabras claves:Autores:Duncan John Mowbray, Migani A., Petek H., Zhao J.Fuentes:googlescopusQuasiparticle level alignment for photocatalytic interfaces
ArticleAbstract: Electronic level alignment at the interface between an adsorbed molecular layer and a semiconductingPalabras claves:Autores:Duncan John Mowbray, Migani A., Petek H., Rubio A., Zhao J.Fuentes:googlescopus