Browsing by Author Viñes Solana, Francesc

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Issue DateTitleAuthor(s)
28-Jan-2016Performance of Minnesota functionals on predicting core-level binding energies of molecules containing main-group elementsPueyo Bellafont, Noèlia; Alvarez Saiz, Gabriel; Viñes Solana, Francesc; Illas i Riera, Francesc
12-Jan-2016Performance of the TPSS functional on predicting core level binding energies of main group elements containing molecules: a good choice for molecules adsorbed on metal surfacesPueyo Bellafont, Noèlia; Viñes Solana, Francesc; Illas i Riera, Francesc
29-Jan-2017Predicting core level binding energies shifts: suitability of the projector augmented wave approach as implemented in VASPPueyo Bellafont, Noèlia; Viñes Solana, Francesc; Hieringer, Wolfgang; Illas i Riera, Francesc
Jun-2019Probing CO Adsorption on fcc MetalsPelegero Alonso, Lorena
20-Jun-2018Robustness of surface activity electronic structure-based descriptors of transition metalsVega Dominguez, Lorena; Martínez, Biel; Viñes Solana, Francesc; Illas i Riera, Francesc
3-Apr-2019Room temperature methane capture and activation by Ni clusters supported on TiC(001): effects of metal-carbide interactions on the cleavage of the C-H bondPrats Garcia, Hèctor; Gutiérrez, Ramón A.; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc
1-Mar-2017Selectivity for CO2 over CH4 on a functionalized periodic mesoporous phenylene-silica explained by transition state theoryKunkel, Christian; Viñes Solana, Francesc; Lourenco, Mirtha A. O.; Ferreira, Paula; Gomes, José R. B.; Illas i Riera, Francesc
Jan-2022Single-Atom Catalysts Based on O-Functionalized MXenesButurca, Maria Andreea
Jan-2021Single-Atoms Catalysts based on MXenesPibernat Cabañas, Sara
28-Jul-2017Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulkViñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas
29-Jun-2017Substrate-mediated single-atom isolation: dispersion of Ni and La on gamma-graphyneKim, Sunkyung; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong; Illas i Riera, Francesc
4-Feb-2019Subsurface carbon: a general feature of noble metalsPiqué, Oriol; Koleva, Iskra Z.; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc
6-Aug-2021Supported Molybdenum Carbide Nanoparticles as an Excellent Catalyst for CO2 HydrogenationFigueras, Marc; Gutiérrez, Ramon A.; Viñes Solana, Francesc; Ramirez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc
14-Feb-2019Surface activity of early transition-metal oxycarbides: CO2 adsorption case studyKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
1-Mar-2017Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxidesViñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Illas i Riera, Francesc
9-Jun-2014The Bending Machine: CO2 Activation and Hydrogenation on d-MoC(001) and b-Mo2C(001) Surfaces.Posada Pérez, Sergio; Viñes Solana, Francesc; Ramírez, Pedro J.; Vidal, Alba B.; 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-Feb-2016The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activityPosada Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; Stacchiola, Dario J.; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A.
10-Sep-2019The nano gold rush: Graphynes as atomic sieves for coinage and Pt-group transition metalsSunkyung, Kim; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong
14-Feb-2023Theoretical Analysis of Magnetic Coupling in the Ti2C Bare MXeneGarcía-Romeral, Néstor; Morales-García, Ángel; Viñes Solana, Francesc; Moreira, Ibério de Pinho Ribeiro; Illas i Riera, Francesc