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CO <inf>2</inf> activation and methanol synthesis on novel Au/TiC and Cu/TiC catalysts
ArticleAbstract: Small Cu and Au particles in contact with a TiC(001) surface undergo a charge polarization that makePalabras claves:Autores:Alba Beatriz Vidal, Evans J., Illas F., Leticia Feria, Liu P., Nakamura K., Rodríguez J.A., Takahashi Y.Fuentes:scopusCO<inf>2</inf> hydrogenation on Au/TiC, Cu/TiC, and Ni/TiC catalysts: Production of CO, methanol, and methane
ArticleAbstract: Small Au, Cu, and Ni particles in contact with TiC(0 0 1) display a very high activity for the catalPalabras claves:CO activation 2, CO production, Metal carbides, Methane synthesis, Noble metalsAutores:Alba Beatriz Vidal, Evans J., Illas F., Leticia Feria, Liu P., Nakamura K., Rodríguez J.A.Fuentes:scopusAb initio study of the CH <inf>3</inf>O <inf>2</inf> self-reaction in gas phase: Elucidation of the CH <inf>3</inf>O <inf>2</inf> + CH <inf>3</inf>O <inf>2</inf> → 2CH <inf>3</inf>O + O <inf>2</inf> pathway
Conference ObjectAbstract: Ab initio electronic structure calculations have been performed to determine the mechanism governingPalabras claves:Methyl peroxyl radical, Self-reaction, Theoretical studyAutores:Castro M., Gonzalez C.A., Leticia FeriaFuentes:scopusEffect of the support on the electronic structure of Au nanoparticles supported on transition metal carbides: Choice of the best substrate for Au activation
ArticleAbstract: Periodic density functional theory calculations on large supercells have been carried out to investiPalabras claves:Autores:Florez E., Illas F., Leticia Feria, Rodríguez J.A., Viñes F.Fuentes:scopusNew QSPR model for pbkp_rediction of corrosion inhibition using conceptual density functional theory
ArticleAbstract: The relationship between structure and corrosion inhibition of a series of twenty-eight quinoline anPalabras claves:Corrosion inhibitor, DFT, hardness, Heterocyclic compounds, QSPRAutores:Alvarado-Rodríguez J.G., Camacho-Mendoza R.L., Cruz-Borbolla J., Leticia Feria, Zárate-Hernández L.Á.Fuentes:scopusNonconventional C–H···Cu Interaction Between Copper Cu<inf> n</inf> Clusters (n = 3–20) and Aromatic Compounds
ArticleAbstract: The present study examines bonding patterns between copper Cun clusters (n = 3–20) and aromatic compPalabras claves:Aromatic compounds, Copper clusters, Cu–arene interactions, C–H···Cu interactions, DFT studiesAutores:Camacho-Mendoza R.L., Cruz-Borbolla J., González‐Montiel S., Leticia Feria, Rangel-Peña U.J.Fuentes:scopusNovel Au-TiC catalysts for CO oxidation and desulfurization processes
Conference ObjectAbstract: Recent articles dealing with the physical and chemical properties of novel Au-TiC catalysts are reviPalabras claves:CO oxidation, GOLD, Hydrodesulfurization, Titanium carbideAutores:Florez E., Illas F., Leticia Feria, Liu P., Nakamura K., Rodríguez J.A., Takahashi Y., Viñes F.Fuentes:scopusImportance of the metal-oxide interface in catalysis: In situ studies of the water-gas shift reaction by ambient-pressure X-ray photoelectron spectroscopy
ArticleAbstract: Where oxide and metals meet: The activation of an efficient associative mechanistic pathway for thePalabras claves:Ceria, Heterogeneous catalysis, nanocatalysis, surface chemistry, water-gas shift reactionAutores:Agnoli S., Alba Beatriz Vidal, Axnanda S., Baber A.E., Chang R., Evans J., Graciani J., Kundu S., Leticia Feria, Liu P., Liu Z., Mudiyanselage K., Rodríguez J.A., Sanz J.F., Senanayake S.D., Stacchiola D.J.Fuentes:scopusInteraction of SO<inf>2</inf> with Cu/TiC(0 0 1) and Au/TiC(0 0 1): Toward a new family of DeSO<inf>x</inf> catalysts
ArticleAbstract: Experiments carried out under well-controlled conditions and density functional theory (DFT)-based cPalabras claves:Au nanoparticles, Cu nanoparticles, DeSO x, DFT, tic, XPSAutores:Illas F., Jirsak T., Leticia Feria, Rodríguez J.A.Fuentes:scopusInvestigation of anodic passive layers on tin-indium alloys by photocurrent and electrochemical impedance spectroscopies
ArticleAbstract: The semiconductor properties of anodic passive layers formed on tin and tin-indium electrodes have bPalabras claves:Autores:Leticia Feria, Moina C.A., Varela F.E., Vilche J.R., Ybarra G.O.Fuentes:scopus