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Article(3)
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ACS Catalysis(1)
Journal of Chemical Theory and Computation(1)
Journal of Physical Chemistry C(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:scopusUsing G<inf>0</inf>W<inf>0</inf> Level Alignment to Identify Catechol's Structure on TiO<inf>2</inf>(110)
ArticleAbstract: We perform state-of-the-art calculations for a prototypical dye sensitized solar cell: catechol on rPalabras claves:Autores:Duncan John Mowbray, Migani A.Fuentes:scopusQuasiparticle 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:googlescopus