Mostrando 4 resultados de: 4
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Article(4)
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Journal of Chemical Theory and Computation(2)
ACS Catalysis(1)
Journal of the American Chemical Society(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:scopusLevel alignment of a prototypical photocatalytic system: Methanol on TiO<inf>2</inf>(110)
ArticleAbstract: Photocatalytic activity depends on the optimal alignment of electronic levels at the molecule-semicoPalabras claves:Autores:Duncan John Mowbray, Iacomino A., Migani A., Petek H., Rubio A., Zhao J.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