Browsing by Author Viñes Solana, Francesc

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Issue DateTitleAuthor(s)
7-Feb-2018On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional studyManadé, Montserrat; Viñes Solana, Francesc; Gil, Adrià; 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
7-Apr-2018On the prediction of core level binding energies in molecules, surfaces and solidsViñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc
26-Sep-2019Optical properties and chemical ordering of Ag-Pt nanoalloys: a computational studyOlobardi, Sofia; Fortunelli, Alessandro; Stener, Mauro; Viñes Solana, Francesc; Vega Dominguez, Lorena; Neyman, Konstantin M.
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