Browsing by Author Viñes Solana, Francesc

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Issue DateTitleAuthor(s)
19-Mar-2014A DF-vdW study of the CH4 adsorption on different Ni surfacesGonzález, Silvia; Viñes Solana, Francesc; García, Juan Fernando; Erazo, Yody; Illas i Riera, Francesc
5-May-2005A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbidesViñes Solana, Francesc; Sousa Romero, Carmen; Liu, Ping; Rodríguez, José A.; Illas i Riera, Francesc
11-Nov-2021Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron NitrideAlcón Rovira, Isaac; Papior, Nick; Calogero, Gaetano; Viñes Solana, Francesc; Gamallo Belmonte, Pablo; Brandbyge, Mads
1-Feb-2017Adding pieces to the CO/Pt(111) puzzle: the role of dispersionJanthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; 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
21-Dec-2021Advanced Modelling of Metallic Nanomaterials for CatalysisVega Domínguez, Lorena
9-May-2019Approaching the quantitative description of enantioselective adsorption by the density functional theory meansViñes Solana, Francesc; Lamiel Garcia, Josep Oriol
20-Jan-2022Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxidesMazheika, Aliaksei; Wang, Yang-Gang; Valero Montero, Rosendo; Viñes Solana, Francesc; Illas i Riera, Francesc; Ghiringelli, Luca M.; Levchenko, Sergey V.; Scheffler, Matthias
10-Jan-2018Assessing GW approaches for predicting core level binding energiesvan Setten, Michiel J.; Costa Sala, Ramon; Viñes Solana, Francesc; Illas i Riera, Francesc
30-Sep-2019Assessing the usefulness of transition metal carbides for hydrogenation reactionsPrats Garcia, Hèctor; Piñero, Juan José; Viñes Solana, Francesc; Bromley, Stefan Thomas; Sayós Ortega, Ramón; Illas i Riera, Francesc
7-Nov-2017Bandgap engineering by cationic disorder: case study on AgBiS2Viñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc
Jun-2022Bandgap Engineering on MXene Compounds by Structure, Composition, and Surface TerminationOntiveros Cruz, Diego
Jan-2021Biogas upgrading by GrazynesCalzada Escrig, Adrià
22-Dec-2017Biogas upgrading by transition metal carbidesKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
13-Mar-2020Boosting the activity of transition metal carbides towards methane activation by nanostructuringFigueras Valls, Marc; Gutiérrez, Ramón A.; Prats Garcia, Hèctor; Viñes Solana, Francesc; Ramírez, Pedro J.; Illas i Riera, Francesc; Rodríguez, José A.
6-Sep-2014Bulk properties of transition metals: a challenge for the design of universal density functionalsJanthon, Patanachai; Luo, Sijie (Andy); Kozlov, Sergey; Viñes Solana, Francesc; Limtrakul, Jumras; Truhlar, Donald G.; Illas i Riera, Francesc
Jul-2020Carbide MXenes Surface Tension Effect on CO2 CaptureDolz Garcia, Daniel
21-Feb-2017Carbon dissolution and segregation in platinumJanthon, Patanachai; Viñes Solana, Francesc; Sirijaraensre, Jakkapan; Limtrakul, Jumras; 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-Aug-2021Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approachVega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M.