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A molecular mechanism for the chemoselective hydrogenation of substituted nitroaromatics with nanoparticles of gold on TiO<inf>2</inf> catalysts: A cooperative effect between gold and the support
ArticleAbstract: Nanoparticles of gold on TiO2 are highly chemoselective for the reduction of substituted nitroaromatPalabras claves:Autores:Boronat M., Concepción P., Corma A., Illas F., Serna P., Silvia González PérezFuentes:googlescopusCO <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 adsorption on monometallic Pd, Rh, Cu and bimetallic PdCu and RhCu monolayers supported on Ru(0 0 0 1)
ArticleAbstract: This work presents a systematic periodic density functional study of the changes in CO adsorption onPalabras claves:Bimetallic, CO adsorption, Cu, DFT, PD, PdCu, Rh, RhCu, Supported monolayersAutores:Illas F., Silvia González PérezFuentes:googlescopusCO<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:scopusFeatures 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:googlerraaescopusEvidence for spontaneous CO<inf>2</inf> activation on cobalt surfaces
ArticleAbstract: Density functional calculations carried out for the interaction of CO2 with the low index faces of CPalabras claves:Autores:de la Peña O'Shea V., Fierro J.L.G., Illas F., Silvia González PérezFuentes:googlescopusNovel 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:scopusOn the promoting role of Ag in selective hydrogenation reactions over Pd-Ag bimetallic catalysts: A theoretical study
ArticleAbstract: The surface structure of Pd-Ag alloy and its alteration in the presence of atomic hydrogen have beenPalabras claves:Autores:Freund H.J., Illas F., Neyman K.M., Shaikhutdinov S., Silvia González PérezFuentes:googlescopusInteraction 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:scopusRole of Au-C interactions on the catalytic activity of Au nanoparticles supported on TiC(001) toward molecular oxygen dissociation
ArticleAbstract: High-resolution photoemission and density functional calculations on realistic slab surface models wPalabras claves:Autores:Illas F., Jirsak T., Leticia Feria, Nakamura K., Rodríguez J.A., Takahashi Y.Fuentes:scopus