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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: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:googlescopusFirst-principles studies of paramagnetic vivianite Fe<inf>3</inf>(PO <inf>4</inf>)<inf>2</inf>·8H<inf>2</inf>O surfaces
ArticleAbstract: Using density-functional theory, we have computed the structural and electronic properties of paramaPalabras claves:Autores:Henry P. Pinto, Leszczynski J., Michalkova A.Fuentes:googlescopus