Mostrando 10 resultados de: 12
Filtros aplicados
Publisher
Physical Review B - Condensed Matter and Materials Physics(3)
Applied Catalysis B: Environmental(1)
Applied Surface Science(1)
Computational Materials Science(1)
Journal of Computational Chemistry(1)
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: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:googlescopusDensity-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 study of γ-Al<inf>2</inf>O<inf>3</inf> surfaces
ArticleAbstract: Starting from the theoretical pbkp_rediction of the γ-Al 2O3 structure using density-functional theoPalabras claves:Autores:Elliott S.D., Henry P. Pinto, Nieminen R.M.Fuentes:googlescopusAb-initio study on the γ-Al<inf>2</inf>O<inf>3</inf> surfaces and interfaces
Conference ObjectAbstract: The controlled growth of alumina films by atomic layer deposition (ALD) is of great interest to thePalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusElectronic structure, chemical bonding, and geometry of pure and Sr-doped CaCO<inf>3</inf>
ArticleAbstract: The electronic structure, chemical bonding, geometry, and effects produced by Sr-doping in CaCO3 havPalabras claves:CaCO 3, DFT method, Molecular orbital theory, Sr-doping, Structural and electronic propertiesAutores:Chamba G., Henry P. Pinto, Stashans A.Fuentes:scopusMono- and bimetallic nanoparticles decorated KTaO <inf>3</inf> photocatalysts with improved Vis and UV–Vis light activity
ArticleAbstract: Novel mono- and bimetallic nanoparticles (MNPs and BNPs) decorated surface of perovskite-type KTaO 3Palabras claves:Mono- and bimetallic nanoparticles, Noble metal photodeposition, Perovskite KTaO 3, Pollutant degradation/H generation 2, Vis/UV–Vis photocatalytic activityAutores:Henry P. Pinto, Klimczuk T., Krukowska A., Lisowski W., Mikolajczyk A., Trykowski G., Winiarski M.J., Zaleska-Medynska A.Fuentes:googlescopusMechanism of the Verwey transition in magnetite: Jahn-Teller distortion and charge ordering patterns
ArticleAbstract: We have performed density functional calculations with on-site Coulomb repulsion corrections of systPalabras claves:Autores:Elliott S.D., Henry P. PintoFuentes:googlescopusImaging of the hydrogen subsurface site in rutile TiO2
ArticleAbstract: From an interplay between simultaneously recorded noncontact atomic force microscopy and scanning tuPalabras claves:Autores:Besenbacher F., Enevoldsen G.H., Foster A.S., Hammer B., Henry P. Pinto, Hofer W.A., Jensen M.C.R., Lauritsen J.V.Fuentes:googlescopusRare earth ions doped K<inf>2</inf>Ta<inf>2</inf>O<inf>6</inf> photocatalysts with enhanced UV–vis light activity
ArticleAbstract: Novel rare earth-doped K2Ta2O6 (RE-K2Ta2O6) photocatalysts were successfully synthesized by one-stepPalabras claves:H generation 2, Phenol/toluene degradation, Pyrochlore K Ta O 2 2 6, Rare earth ion dopoing, UV–vis photocatalytic activityAutores:Grzyb T., Henry P. Pinto, Klimczuk T., Krukowska A., Lisowski W., Mikolajczyk A., Puzyn T., Strychalska-Nowak J., Winiarski M.J., Zaleska-Medynska A.Fuentes:googlescopus