Articles with public access mandates - Francesc ViñesLearn more
Not available anywhere: 32
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
Mandates: Government of Spain
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
Mandates: Government of Spain
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
Mandates: German Research Foundation
Bonding mechanisms of graphene on metal surfaces
SM Kozlov, F Vines, A Görling
The Journal of Physical Chemistry C 116 (13), 7360-7366, 2012
Mandates: German Research Foundation
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
Mandates: German Research Foundation
Brønsted–Evans–Polanyi relationship for transition metal carbide and transition metal oxide surfaces
F Vines, A Vojvodic, F Abild-Pedersen, F Illas
The Journal of Physical Chemistry C 117 (8), 4168-4171, 2013
Mandates: Government of Spain
Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2
S Posada-Perez, F Vines, JA Rodriguez, F Illas
Topics in Catalysis 58, 159-173, 2015
Mandates: US Department of Energy, Government of Spain
SO2 Adsorption on Pt(111) and Oxygen Precovered Pt(111): A Combined Infrared Reflection Absorption Spectroscopy and Density Functional Study
M Happel, N Luckas, F Vines, M Sobota, M Laurin, J Libuda
The Journal of Physical Chemistry C 115 (2), 479-491, 2011
Mandates: German Research Foundation
Hydroxyl identification on ZnO by infrared spectroscopies: theory and experiments
F Vines, A Iglesias-Juez, F Illas, M Fernandez-Garcia
The Journal of Physical Chemistry C 118 (3), 1492-1505, 2014
Mandates: European Commission, Government of Spain
Absolute surface step energies: accurate theoretical methods applied to ceria nanoislands
SM Kozlov, F Vines, N Nilius, S Shaikhutdinov, KM Neyman
The Journal of Physical Chemistry Letters 3 (15), 1956-1961, 2012
Mandates: Government of Spain
A combined density-functional and IRAS study on the interaction of NO with Pd nanoparticles: identifying new adsorption sites with novel properties
F Vines, A Desikusumastuti, T Staudt, A Görling, J Libuda, KM Neyman
The Journal of Physical Chemistry C 112 (42), 16539-16549, 2008
Mandates: German Research Foundation
First-principles calculations on the adsorption behavior of amino acids on a titanium carbide MXene
JD Gouveia, G Novell-Leruth, PMLS Reis, F Viñes, F Illas, JRB Gomes
ACS Applied Bio Materials 3 (9), 5913-5921, 2020
Mandates: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
Carbon on platinum substrates: from carbidic to graphitic phases on the (111) surface and on nanoparticles
F Viñes, KM Neyman, A Görling
The Journal of Physical Chemistry A 113 (43), 11963-11973, 2009
Mandates: German Research Foundation
Elucidating the structure of ethanol-producing active sites at oxide-derived Cu electrocatalysts
O Piqué, F Vines, F Illas, F Calle-Vallejo
ACS Catalysis 10 (18), 10488-10494, 2020
Mandates: Netherlands Organisation for Scientific Research, European Commission …
The Ti2CO2 MXene as a nucleobase 2D sensor: A first-principles study
JD Gouveia, G Novell-Leruth, F Viñes, F Illas, JRB Gomes
Applied Surface Science 544, 148946, 2021
Mandates: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
Influence of the surface dipole layer and Pauli repulsion on band energies and doping in graphene adsorbed on metal surfaces
J Gebhardt, F Viñes, A Görling
Physical Review B—Condensed Matter and Materials Physics 86 (19), 195431, 2012
Mandates: German Research Foundation
Irreversible structural dynamics on the surface of bimetallic PtNi alloy catalyst under alternating oxidizing and reducing environments
I Khalakhan, L Vega, M Vorokhta, T Skála, F Vines, YV Yakovlev, ...
Applied Catalysis B: Environmental 264, 118476, 2020
Mandates: Government of Spain
Generalized gradient approximation adjusted to transition metals properties: Key roles of exchange and local spin density
L Vega, F Vines
Journal of Computational Chemistry 41 (30), 2598-2603, 2020
Mandates: Government of Spain
Tuning the surface chemistry of Pd by atomic C and H: a microscopic picture
HA Aleksandrov, F Vines, W Ludwig, S Schauermann, KM Neyman
Chemistry–A European Journal 19 (4), 1335-1345, 2013
Mandates: Government of Spain
Concepts, models, and methods in computational heterogeneous catalysis illustrated through CO2 conversion
Á Morales‐García, F Viñes, JRB Gomes, F Illas
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (4), e1530, 2021
Mandates: Fundação para a Ciência e a Tecnologia, Portugal, European Commission …
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