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Journal of Physical Chemistry C(5)
Physical Review B - Condensed Matter and Materials Physics(5)
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Channeling of charge carrier plasmons in carbon nanotubes
ArticleAbstract: Ab initio calculations of the loss function of potassium-intercalated and electron-loaded bundles ofPalabras claves:Autores:Duncan John Mowbray, Einarsson E., Knupfer M., Kramberger C., Kraus R., Maruyama S., Pichler T., Roth F., Rubio A., Schuster R.Fuentes:googlescopusAnomalous insulator-metal transition in boron nitride-graphene hybrid atomic layers
ArticleAbstract: The study of two-dimensional (2D) electronic systems is of great fundamental significance in physicsPalabras claves:Autores:Ajayan P.M., Balicas L., Capaz R.B., Ci L., Duncan John Mowbray, Jariwala D., Kurth S., Louie S.G., Rubio A., Song L., Storr K.Fuentes:googlescopusConductivity models for electron energy loss spectroscopy of graphene in a scanning transmission electron microscope with high energy resolution
ArticleAbstract: Recent advancements in the energy resolution and probing capabilities of monochromated electron-beamPalabras claves:conductivity, EELS, Graphene, Relativistic, spectroscopy, TDDFTAutores:Duncan John Mowbray, Lyon K., Misković Z.L.Fuentes:googlescopusAb Initio Calculations of Chitosan Effects on the Electronic Properties of Unpassivated Triangular ZnO Nanowires Oriented along [0001] Directions
ArticleAbstract: In recent years, both chitosan and ZnO nanostructures have been identified as potential antibacteriaPalabras claves:Autores:Baños A.T., Duncan John Mowbray, José Luis Cuevas Figueroa, Martínez M.O., Saravana Prakash Thirumuruganandham, Terencio T.Fuentes:googlescopusDecoupling 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:scopusDensity functional theory calculations of the radial breathing mode in graphene quantum dots
ArticleAbstract: The luminescence emission of graphene quantum dots (GQDs) is around the visible range, so it could bPalabras claves:density functional theory, graphene quantum dots, Phonons, radial breathing modeAutores:Duncan John Mowbray, Jose Luis Cuevas Figueroa, Martínez A.N.P., Martínez M.O., Ordoñez C.V., Tapia V.M.R.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:googlescopusInfluence of functional groups on charge transport in molecular junctions
ArticleAbstract: Using density functional theory (DFT), we analyze the influence of five classes of functional groupsPalabras claves:Autores:Duncan John Mowbray, Jones G., Thygesen K.S.Fuentes:googlescopusStability 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:googlescopusTDDFT study of time-dependent and static screening in graphene
ArticleAbstract: Time-dependent density functional theory (TDDFT) within the random phase approximation (RPA) is usedPalabras claves:Autores:Despoja V., Duncan John Mowbray, Maruić L., Vlahović D.Fuentes:googlescopus