F
Francesc Illas
Researcher at University of Barcelona
Publications - 691
Citations - 28158
Francesc Illas is an academic researcher from University of Barcelona. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 76, co-authored 661 publications receiving 24741 citations. Previous affiliations of Francesc Illas include IBM & Catalan Institution for Research and Advanced Studies.
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Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles
Georgi N. Vayssilov,Yaroslava Lykhach,Annapaola Migani,Thorsten Staudt,Galina P. Petrova,Nataliya Tsud,Tomáš Skála,Albert Bruix,Francesc Illas,Kevin C. Prince,Vladimı´r Matolı´n,Konstantin M. Neyman,Jörg Libuda +12 more
TL;DR: This study identifies two types of oxidative metal-oxide interaction on well-defined models of technologically important Pt-ceria catalysts and details the formation mechanism of the catalytically indispensable Pt-O species on ceria to elucidate the extraordinary structure-activity dependence of ceria-based catalysts in general.
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A new type of strong metal-support interaction and the production of H2 through the transformation of water on Pt/CeO2(111) and Pt/CeO(x)/TiO2(110) catalysts.
Albert Bruix,José A. Rodriguez,Pedro J. Ramírez,Sanjaya D. Senanayake,Jaime Evans,Joon B. Park,Dario Stacchiola,Ping Liu,Jan Hrbek,Francesc Illas +9 more
TL;DR: A transfer of O from the ceria to Pt is found that opens new paths for the WGS process and makes the mixed-metal oxide an extremely active catalyst for the production of hydrogen.
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First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter
TL;DR: In this article, the properties of cerium oxides have been studied in the framework of the LDA+\mathrm{U} and GGA+\Mathrm{GGA} implementations of density functional theory, and the dependence of selected observables on the effective U parameter has been investigated in detail.
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Origin of the Large N 1s Binding Energy in X-ray Photoelectron Spectra of Calcined Carbonaceous Materials
TL;DR: Theoretical models and ab initio Hartree−Fock wave functions are used to investigate the N 1s core level binding energies of N-containing calcined carbonaceous materials.
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A Molecular mechanism for the chemoselective hydrogenation of substituted nitroaromatics with nanoparticles of gold on TiO2 catalysts: a cooperative effect between gold and the support.
TL;DR: The high chemoselectiviy of the Au/TiO2 catalyst can be attributed to a cooperation between the gold nanoparticle and the support that preferentially activates the nitro group.