1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 17 (Search time: 0.016 seconds).
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Issue DateTitleAuthor(s)
3-Aug-2016Single oxygen vacancies of (TiO2)35 as a prototype of reduced nanoparticle: implication for photocatalytic activityKim, Sunkyung; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc
16-Jun-2016Highly active Au/d-MoC and Cu/d-MoC catalysts for the conversion of CO2: The metal/C ratio as a key factor defining activity, selectivity and stabilityPosada Pérez, Sergio; Ramírez, Pedro J.; Evans, Jaime; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A.
19-Dec-2016Matildite versus schapbachite: First-principles investigation of the origin of photoactivity in AgBiS2Viñes Solana, Francesc; Bernechea, María; Konstantatos, Gerasimos; Illas i Riera, Francesc
Jan-2016Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and ActivationKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
27-May-2016Magnetic coupling constants in three electrons three centres problems from effective Hamiltonian theory and validation of broken symmetry based approachesReta Mañeru, Daniel; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc
3-Oct-2016Adsorption and dissociation of molecular hydrogen on orthorhombic β- Mo2C and cubic δ-MoC (001) surfacesPosada Pérez, Sergio; Viñes Solana, Francesc; Valero Montero, Rosendo; Rodríguez, José A.; Illas i Riera, Francesc
17-Jun-2016The contact of graphene with Ni(111) surface: description by modern dispersive forces approachesMuñoz-Galán, Helena; Viñes Solana, Francesc; Gebhardt, Julian; Görling, Andreas; Illas i Riera, Francesc
1-May-2016Effect of the exchange-correlation potential on the transferability of Bronsted-Evans-Polanyi relationships in heterogeneous catalysisFajin, Jose L. C.; Viñes Solana, Francesc; Cordeiro, M. Natália D. S.; Illas i Riera, Francesc; Gomes, José R. B.
1-Aug-2016Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticlesCho, Daeheum; Ko, Kyoung Chul; Lamiel Garcia, Josep Oriol; Bromley, Stefan Thomas; Lee, Jin Yong; Illas i Riera, Francesc
Oct-2016Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivityPrats Garcia, Hèctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón

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