| Competition for graphene: graphynes with direction-dependent dirac cones D Malko, C Neiss, F Vines, A Görling Physical review letters 108 (8), 086804, 2012 | 1204 | 2012 |
| Bulk properties of transition metals: a challenge for the design of universal density functionals P Janthon, S Luo, SM Kozlov, F Vines, J Limtrakul, DG Truhlar, F Illas Journal of chemical theory and computation 10 (9), 3832-3839, 2014 | 312 | 2014 |
| Establishing the accuracy of broadly used density functionals in describing bulk properties of transition metals P Janthon, SM Kozlov, F Vines, J Limtrakul, F Illas Journal of Chemical Theory and Computation 9 (3), 1631-1640, 2013 | 241 | 2013 |
| Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces JR dos Santos Politi, F Vines, JA Rodriguez, F Illas Physical Chemistry Chemical Physics 15 (30), 12617-12625, 2013 | 236 | 2013 |
| The bending machine: CO 2 activation and hydrogenation on δ-MoC (001) and β-Mo 2 C (001) surfaces S Posada-Pérez, F Vines, PJ Ramirez, AB Vidal, JA Rodriguez, F Illas Physical Chemistry Chemical Physics 16 (28), 14912-14921, 2014 | 225 | 2014 |
| A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides F Viñes, C Sousa, P Liu, JA Rodriguez, F Illas The Journal of chemical physics 122 (17), 2005 | 211 | 2005 |
| Graphene on Ni (111): coexistence of different surface structures W Zhao, SM Kozlov, O Höfert, K Gotterbarm, MPA Lorenz, F Vines, ... The Journal of Physical Chemistry Letters 2 (7), 759-764, 2011 | 197 | 2011 |
| Transition metal carbides as novel materials for CO 2 capture, storage, and activation C Kunkel, F Vines, F Illas Energy & Environmental Science 9 (1), 141-144, 2016 | 193 | 2016 |
| Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis F Vines, JRB Gomes, F Illas Chemical Society Reviews 43 (14), 4922-4939, 2014 | 190 | 2014 |
| CO 2 abatement using two-dimensional MXene carbides Á Morales-García, A Fernández-Fernández, F Viñes, F Illas Journal of Materials Chemistry A 6 (8), 3381-3385, 2018 | 188 | 2018 |
| Transition metal adatoms on graphene: A systematic density functional study M Manade, F Vines, F Illas Carbon 95, 525-534, 2015 | 180 | 2015 |
| Highly Active Au/δ-MoC and Cu/δ-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability S Posada-Pérez, PJ Ramírez, J Evans, F Viñes, P Liu, F Illas, ... Journal of the American Chemical Society 138 (26), 8269-8278, 2016 | 176 | 2016 |
| Bonding mechanisms of graphene on metal surfaces SM Kozlov, F Vines, A Görling The Journal of Physical Chemistry C 116 (13), 7360-7366, 2012 | 173 | 2012 |
| Methane activation by platinum: Critical role of edge and corner sites of metal nanoparticles F Viñes, Y Lykhach, T Staudt, MPA Lorenz, C Papp, HP Steinrück, ... Chemistry–A European Journal 16 (22), 6530-6539, 2010 | 159 | 2010 |
| Effective and Highly Selective CO Generation from CO2 Using a Polycrystalline α-Mo2C Catalyst X Liu, C Kunkel, P Ramirez de la Piscina, N Homs, F Vines, F Illas ACS Catalysis 7 (7), 4323-4335, 2017 | 133 | 2017 |
| The conversion of CO 2 to methanol on orthorhombic β-Mo 2 C and Cu/β-Mo 2 C catalysts: Mechanism for admetal induced change in the selectivity and activity S Posada-Pérez, PJ Ramírez, RA Gutiérrez, DJ Stacchiola, F Viñes, P Liu, ... Catalysis Science & Technology 6 (18), 6766-6777, 2016 | 128 | 2016 |
| MXenes as promising catalysts for water dissociation JD Gouveia, Á Morales-García, F Vines, F Illas, JRB Gomes Applied Catalysis B: Environmental 260, 118191, 2020 | 125 | 2020 |
| Bandgap engineering of graphene by physisorbed adsorbates SM Kozlov, F Viñes, A Görling Advanced Materials 22 (23), 2638-2643, 2011 | 101 | 2011 |
| Functionalization of γ-graphyne by transition metal adatoms S Kim, AR Puigdollers, P Gamallo, F Vines, JY Lee Carbon 120, 63-70, 2017 | 99 | 2017 |
| Growth and electronic structure of nitrogen-doped graphene on Ni (111) RJ Koch, M Weser, W Zhao, F Viñes, K Gotterbarm, SM Kozlov, O Höfert, ... Physical Review B—Condensed Matter and Materials Physics 86 (7), 075401, 2012 | 97 | 2012 |