Mostrando 10 resultados de: 33
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Physical Review B - Condensed Matter and Materials Physics(5)
Applied Surface Science(3)
Journal of Physical Chemistry C(3)
Applied Catalysis B: Environmental(2)
Computational Materials Science(2)
Characterization and Simulation of Natural Pyrite Surfaces: A Combined Experimental and Theoretical Study
ArticleAbstract: The electronic structure of a natural pyrite sample from Navajún, Spain was studied using both core-Palabras claves:Autores:Henry P. Pinto, Leszczynski J., McKee A., Orlando T., Schaible M.Fuentes:googlescopusComputational and experimental approach to understanding the structural interplay of self-assembled end-terminated alkanethiolates on gold surfaces
ArticleAbstract: Applications of self-assembled monolayers (SAMs) on surfaces are prevalent in modern technologies anPalabras claves:Autores:Henry P. Pinto, Kumari S., Leszczynski J., Roy J.K., Vasquez E.S., Walters K.B.Fuentes:googlescopusComputational study of self-trapped hole polarons in tetragonal BaTiO<inf>3</inf>
ArticleAbstract: We have used a quantum-chemical method developed for crystal calculations to investigate self-trappePalabras claves:Autores:Henry P. Pinto, Stashans A.Fuentes:googlescopusAtomic scale study of corrugating and anticorrugating states on the bare Si(1 0 0) surface
ArticleAbstract: In this article, we study the origin of the corrugating and anticorrugating states through the electPalabras claves:anticorrugating state, density functional theory, DFT simulation, HSE, Scanning tunneling microscopy, silicon surfaceAutores:Henry P. Pinto, Leszczynski J., Riedel D., Yengui M.Fuentes:googlescopusAtomic-scale study of the adsorption of calcium fluoride on Si(100) at low-coverage regime
ArticleAbstract: We investigate, experimentally and theoretically, the initial stage of the formation of Ca/Si and SiPalabras claves:Autores:Chiaravalloti F., Dujardin G., Foster A.S., Henry P. Pinto, Riedel D.Fuentes:googlescopusAnalysis of radiation-induced hole localisation in titanates
Conference ObjectAbstract: Hole self-trapping in technologically important BaTiO3 and SrTiO3 crystals is studied using a quantuPalabras claves:BaTiO 3, Hole self-trapping, SrTiO 3Autores:Henry P. Pinto, Stashans A.Fuentes:googlescopusDetailed scanning probe microscopy tip models determined from simultaneous atom-resolved AFM and STM studies of the TiO2 (110) surface
ArticleAbstract: The atomic-scale contrast in noncontact atomic force microscopy (nc-AFM) images is determined by thePalabras claves:Autores:Besenbacher F., Enevoldsen G.H., Foster A.S., Henry P. Pinto, Hofer W.A., Jensen M.C.R., Kühnle A., Lauritsen J.V., Reichling M.Fuentes:googlescopusDensity functional theory study of Al-doped hematite
ArticleAbstract: Using first-principles density functional theory calculations within the generalized gradient approxPalabras claves:Autores:A. Stashans, H. Pinto, Henry P. Pinto, L. Piedra, Lorena Piedra, R. Rivera Escobar, Richard Rivera, Stashans A.Fuentes:googlerraaescopusDensity-functional study of impurity-related DX centers in CdF<inf>2</inf>
ArticleAbstract: We have studied computationally the CdF2 crystal doped with Al, Ga, In, Sc and Y impurities, using tPalabras claves:Autores:Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb Initio studies of anatase TiO<inf>2</inf> (101) surface-supported au<inf>8</inf> clusters
ArticleAbstract: Supported transition metals on TiO2 surfaces have shown exceptional catalytic properties in many impPalabras claves:Au-cluster, Density-functional theory, electronic structure, Surface (101), TiO anatase 2, VdW-DFAutores:Gajewicz A., Henry P. Pinto, Leszczynski J., Mikolajczyk A., Puzyn T.Fuentes:googlescopus