1. Dipòsit Digital de la Universitat de Barcelona

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Results 161-170 of 181 (Search time: 0.027 seconds).
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Issue DateTitleAuthor(s)
19-Dec-2013Hydroxyl identification on ZnO by infrared spectroscopies: theory and experimentViñes Solana, Francesc; Iglesias-Juez, Ana; Illas i Riera, Francesc; Fernandez-Garcia, Marcos
24-Aug-2015Transition metal adatoms on graphene: A systematic density functional studyManadé, Montserrat; Viñes Solana, Francesc; Illas i Riera, Francesc
2016On the hydrogen adsorption and dissociation on Cu surfaces and nanorowsÁlvarez Falcón, Leny; Viñes Solana, Francesc; Notario Estévez, Almudena; Illas i Riera, Francesc
2015Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchangeNotario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc
4-Sep-2014Charge polarization at a Au-TiC interface and the generation of highly active and selective catalysts for the low-temperature water-gas shift reactionRodríguez, José A.; Ramírez, Pedro J.; Asara, Gian Giacomo; Viñes Solana, Francesc; Evans, Jaime; Liu, Ping; Ricart, Josep M.; Illas i Riera, Francesc
6-Dec-2016Kinetic Monte Carlo simulation of the water gas shift reaction on Cu(111) from density functional theory based calculationsPrats Garcia, Hèctor; Álvarez Falcón, Leny; Illas i Riera, Francesc; Sayós Ortega, Ramón
15-Dec-2015Unexpectedly large impact of van der Waals interactions on the description of heterogeneous catalyzed reactions: the water gas shift reaction on Cu(321) as a case examplePrats Garcia, Hèctor; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón; Illas i Riera, Francesc
1-Dec-2021Thermodynamics and Kinetics of Molecular Hydrogen Adsorption and Dissociation on MXenes: Relevance to Heterogeneously Catalyzed Hydrogenation ReactionsLópez, Martí; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc
16-Jul-2018Theoretical modeling of electronic excitations of gas-phase and solvated TiO2 nanoclusters and nanoparticles of interest in photocatalysisValero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc
7-Nov-2019Thickness biased capture of CO2 on carbide MXenesMorales García, Ángel; Mayans-Llorach, Marc; Viñes Solana, Francesc; Illas i Riera, Francesc

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