Francesc Viñes
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Competition for graphene: graphynes with direction-dependent dirac cones
D Malko, C Neiss, F Vines, A Görling
Physical review letters 108 (8), 086804, 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
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
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
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), 174709, 2005
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
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
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
Bonding mechanisms of graphene on metal surfaces
SM Kozlov, F Vines, A Görling
The Journal of Physical Chemistry C 116 (13), 7360-7366, 2012
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
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
Transition metal adatoms on graphene: A systematic density functional study
M Manade, F Vines, F Illas
Carbon 95, 525-534, 2015
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
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-Perez, PJ Ramírez, J Evans, F Vines, P Liu, F Illas, ...
Journal of the American Chemical Society 138 (26), 8269-8278, 2016
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
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
Bandgap engineering of graphene by physisorbed adsorbates
SM Kozlov, F Viñes, A Görling
Advanced Materials 23 (22‐23), 2638-2643, 2011
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 86 (7), 075401, 2012
Dissociation of SO2 on Au/TiC(001): Effects of Au–C Interactions and Charge Polarization
JA Rodriguez, P Liu, F Viñes, F Illas, Y Takahashi, K Nakamura
Angewandte Chemie 120 (35), 6787-6791, 2008
Catalyst size matters: Tuning the molecular mechanism of the water–gas shift reaction on titanium carbide based compounds
F Vines, JA Rodriguez, P Liu, F Illas
Journal of Catalysis 260 (1), 103-112, 2008
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