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Decoupling Chemically Active 2D Molecular Overlayers from the Substrate: Chlorophenyl Porphyrins on Graphene/Ir(111)
ArticleAbstract: The synthesis of atomically precise chemically active 2D molecular overlayers may be hindered by chePalabras claves:Autores:de Siervo A., Duncan John Mowbray, Ferreira R.C.C., Juan Carlos Moreno-López, Milotti V., Paz A.P., Pichler T., Schio P., Simoes e Silva W.Fuentes:scopusDisentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
ArticleAbstract: Pristine single-walled carbon nanotubes (SWCNTs) are rather inert to O2 and N2, which for low dosesPalabras claves:Autores:Alejandro Pérez Paz, Dalmiglio M., Duncan John Mowbray, Goldoni A., Lacovig P., Lizzit S., Paola A. Ayala, Pichler T., Rubio A., Ruiz-Soria G., Sauer M., Yanagi K.Fuentes:googlescopusErratum: Using G<inf>0</inf>W<inf>0</inf> Level Alignment to Identify Catechol's Structure on TiO<inf>2</inf>(110) (J. Phys. Chem. C (2015) 119:34 (19634-19641) DOI: 10.1021/acs.jpcc.5b05392)
OtherAbstract:Palabras claves:Autores:Duncan John Mowbray, Migani A.Fuentes:scopusStability and electronic properties of tiO<inf>2</inf> nanostructures with and without b and n doping
ArticleAbstract: We address one of the main challenges to TiO2photocatalysis, namely band gap narrowing, by combiningPalabras claves:Autores:Duncan John Mowbray, Jacobsen K.W., Lastra G., Martínez J.I., Thygesen K.S.Fuentes:googlescopusSupramolecular Ordering and Reactions of a Chlorophenyl Porphyrin on Ag(111)
ArticleAbstract: Surface-assisted Ullmann-type coupling reactions are a potential bottom-up approach for building taiPalabras claves:Autores:Alejandro Pérez Paz, De Campos Ferreira R.C., de Siervo A., Duncan John Mowbray, Landers R., Roulet J.Y.Fuentes:googlescopusSupramolecular 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:googlescopusTailoring a Molecule's Optical Absorbance Using Surface Plasmonics
ArticleAbstract: Understanding the interaction of light with molecules physisorbed on substrates is a fundamental proPalabras claves:Autores:Despoja V., Duncan John MowbrayFuentes:googlescopusTheoretical Insight into the Internal Quantum Efficiencies of Polymer/C<inf>60</inf> and Polymer/SWNT Photovoltaic Devices
ArticleAbstract: The internal quantum efficiency (IQE) of an organic photovoltaic device (OPV) is proportional to thePalabras claves:Autores:Duncan John Mowbray, Glanzmann L.N.Fuentes:googlescopusTrends in CO oxidation rates for metal nanoparticles and close-packed, stepped, and kinked surfaces
ArticleAbstract: Using density functional theory calculations, we study trends in the CO oxidation activity for diffePalabras claves:Autores:Bligaard T., Dobrin S., Duncan John Mowbray, Falsig H., Hvolbœk B., Jiang T., Nørskov J.K.Fuentes:googlescopusTrends in metal oxide stability for nanorods, nanotubes, and surfaces
ArticleAbstract: The formation energies of nanostructures play an important role in determining their properties, incPalabras claves:Autores:Calle-Vallejo F., Duncan John Mowbray, Jacobsen K.W., Martínez J.I., Nørskov J.K., Rossmeisl J., Thygesen K.S.Fuentes:googlescopus