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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 predict tPalabras 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:scopusSupramolecular environment-dependent electronic properties of metal-Organic interfaces
ArticleAbstract: Model donor-acceptor assemblies at metal-organic interfaces, namely, fluorinated copper-phthalocyaniPalabras claves:Autores:Borghetti P., de Oteyza D.G., Dell'Angela M., Doyle B.P., Duncan John Mowbray, El-Sayed A., Floreano L., Goiri E., Lastra J.M.G., Ortega J.E., Rogero C., Rubio A., Turak A., Wakayama Y.Fuentes:googlescopusUnderstanding charge transfer in donor-acceptor/metal systems: A combined theoretical and experimental study
ArticleAbstract: We develop an effective potential approach for assessing the flow of charge within a two-dimensionalPalabras claves:Autores:Cabellos J.L., de Oteyza D.G., Duncan John Mowbray, El-Sayed A., Floreano L., Goiri E., Ortega J.E., Rogero C., Rubio A.Fuentes:googlescopusUnderstanding energy-level alignment in donor-acceptor/metal interfaces from core-level shifts
ArticleAbstract: The molecule/metal interface is the key element in charge injection devices. It can be generally defPalabras claves:energy-level alignment, Fermi-level pinning, metal-organic interfaces, molecular blends, vacuum-level pinning, XPSAutores:Borghetti P., Cabellos J.L., de Oteyza D.G., Duncan John Mowbray, El-Sayed A., Floreano L., Goiri E., Lovat G., Ortega J.E., Rogero C., Rubio A., Wakayama Y.Fuentes:googlescopusVibrational properties of hexagonal boron nitride: Inelastic X-ray scattering and Ab Initio calculations
ArticleAbstract: The phonon dispersion relations of bulk hexagonal boron nitride have been determined from inelasticPalabras claves:Autores:Arenal R., Bosak A., Jorge Serrano, Kanda H., Krisch M., Rubio A., Taniguchi T., Watanabe K., Wirtz L.Fuentes:scopus