Mostrando 3 resultados de: 3
Área temáticas
Química física(3)
Ingeniería química(1)
Química inorgánica(1)
Tecnología de productos químicos industriales(1)
Objetivos de Desarrollo Sostenible
ODS 12: Producción y consumo responsables(3)
ODS 9: Industria, innovación e infraestructura(3)
A DF-vdW study of the CH4 adsorption on different Ni surfaces
ArticleAbstract: A systematic density functional (DF) theory based study of methane (CH4) adsorption on the three lowPalabras claves:activation, augmented, catalysts, crystal surfaces, density, Dynamics, functional theory, hydrogen, methane dissociation, ni(111) surfaces, PD, single, wave methodAutores:J. García, S. Gonzalez Perez, Y. ErazoFuentes:rraaeExploring the molecular mechanisms of reactions at surfaces
ArticleAbstract: The study of the molecular mechanism of chemical reactions occurring at solid surfaces is of primaryPalabras claves:AB-INITIO, AUGMENTED-WAVE METHOD, Density-functional theory, ELECTRONIC-STRUCTURE, ETHYLENE EPOXIDATION, HETEROGENEOUS EPOXIDATION, METAL-SURFACES, RHCU(111) SURFACES, SELECTIVE OXIDATION, THERMAL-DECOMPOSITIONAutores:S. Gonzalez PerezFuentes:rraaeFeatures and catalytic properties of RhCu: A review
Book PartAbstract: The study of bimetallic catalysts has scientific and technologic importance because of special catalPalabras claves:Bimetallic, Catalysis, DFT, RhCuAutores:C. Sousa, F. Illas, Illas F., S. Gonzalez Perez, Silvia González Pérez, Sousa C.Fuentes:googlerraaescopus