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Article(10)
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Journal of Physical Chemistry C(5)
Journal of Computational Methods in Sciences and Engineering(2)
Angewandte Chemie - International Edition(1)
Physical Chemistry Chemical Physics(1)
Revista Mexicana de Ingeniera Quimica(1)
Determining the behavior of RuO<inf>x</inf> nanoparticles in mixed-metal oxides: Structural and catalytic properties of RuO<inf>2</inf>/TiO <inf>2</inf>(110) surfaces
ArticleAbstract: Hot off the wire: Scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functPalabras claves:CO oxidation, Heterogeneous catalysis, nanocatalysts, ruthenium oxide, TitaniaAutores:Alba Beatriz Vidal, Evans J., Graciani J., Kundu S., Liu P., Ramírez P.J., Rodríguez J.A., Sanz J.F., Senanayake S.D., Stacchiola D.J., Yang F.Fuentes:scopusDFT study of the sulfidation pretreatment of molybdenum carbides in the hydrodechlorination reaction of chlorobenzene
ArticleAbstract: The effect of the pre-adsorption of sulfur on the hexagonal-Mo-{2}C-(001) surface in the hydrodechloPalabras claves:chlorobenzene, DFT, HDC, Molybdenum carbides, presulphidingAutores:Alba Beatriz Vidal, Añez R., Bastardo A., Betancourt P., David Santiago Coll, Del Toro R.S., Joaquin L. Brito, Rodríguez J.A., Velásquez M., Yosslen R. ArayFuentes:scopusFirst principles study of low miller index RuS<inf>2</inf> surfaces in hydrotreating conditions
ArticleAbstract: Density functional theory (DFT) calculations combined with surface thermodynamic arguments and the GPalabras claves:Autores:Alba Beatriz Vidal, David Santiago Coll, Grillo M.E., Rodríguez J.A., Vega D., Yosslen R. ArayFuentes:scopusFirst-principles study of the nature of niobium sulfide catalyst for hydrodesulfurization in hydrotreating conditions
ArticleAbstract: For the metal-edge of pure NbS2 catalyst mixed with Mo and promoted with V, Fe, Co, and Ni, densityPalabras claves:Autores:Alba Beatriz Vidal, Cecilia A. Paredes, David Santiago Coll, Dick Zambrano Salinas, Eduardo V. Ludeña, Henriquez F., Jímenez D.M., Mauricio Heriberto Cornejo, P. Iza, Peter Iza, Yosslen R. ArayFuentes:googlescopusFirst-principles study of the nature of small nickel sulfide particles
ArticleAbstract: The nature of small nickel sulfide clusters was explored using the atoms in molecules theory and a bPalabras claves:Atoms in molecules, density functional theory, Electrostatic potential, First-principles atomic thermodynamic, Hydrodesulfurization, Nickel sulfide particlesAutores:Alba Beatriz Vidal, David Santiago Coll, Rodríguez J.A., Vega D., Yosslen R. ArayFuentes:scopusEthanol photoreaction on RuO<inf>x</inf>/Ru-modified TiO<inf>2</inf>(110)
ArticleAbstract: During the photochemical reaction of organic molecules on oxide surfaces, radicals are formed and paPalabras claves:Autores:Alba Beatriz Vidal, Idriss H., Kundu S., Liu P., Nadeem M.A., Rodríguez J.A., Senanayake S.D., Stacchiola D.J.Fuentes:scopusUnraveling the nature of the oxide-metal interaction in ceria-based noble metal inverse catalysts
ArticleAbstract: Recently, it has been shown that model catalysts consisting of cerium oxide nanoparticles supportedPalabras claves:Autores:Alba Beatriz Vidal, Graciani J., Rodríguez J.A., Sanz J.F.Fuentes:scopusWhen ruthenia met titania: achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides
ArticleAbstract: Nanostructured RuOx/TiO2(110) catalysts have a remarkable catalytic activity for CO oxidation at temPalabras claves:Autores:Alba Beatriz Vidal, Evans J., Graciani J., Rodríguez J.A., Sanz J.F., Stacchiola D.J., Yang F.Fuentes:scopusSpecial chemical properties of RuO <inf>x</inf> nanowires in RuO <inf>x</inf>/TiO <inf>2</inf>(110): Dissociation of water and hydrogen production
ArticleAbstract: Recently, there has been a strong interest in understanding the role of mixed-metal oxides in catalyPalabras claves:Autores:Alba Beatriz Vidal, Evans J., Kundu S., Liu P., Ramírez P.J., Rodríguez J.A., Senanayake S.D., Stacchiola D.J., Yang F.Fuentes:scopusThermodynamic stability of promoted niobium sulfide catalyst for hydrodesulfurization: A dft study
ArticleAbstract: Density functional theory calculations of single-layer models of niobium sulfide catalysts promotedPalabras claves:Canonical Potential, DFT, HDS, Niobium Sulfide Catalysts, Promotor effectAutores:Alba Beatriz Vidal, Alejandro Martiz, Darío E. Arroyo, Dick Zambrano Salinas, Eduardo V. Ludeña, Haci Baykara, Mauricio Heriberto Cornejo, P. Iza, Samantha SamaniegoFuentes:scopus