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Federico Calle-Vallejo
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Universality in oxygen evolution electrocatalysis on oxide surfaces
IC Man, HY Su, F Calle‐Vallejo, HA Hansen, JI Martínez, NG Inoglu, ...
ChemCatChem 3 (7), 1159-1165, 2011
28912011
Catalysts and reaction pathways for the electrochemical reduction of carbon dioxide
R Kortlever, J Shen, KJP Schouten, F Calle-Vallejo, MTM Koper
The Journal of Physical Chemistry Letters 6 (20), 4073-4082, 2015
13912015
Advances and challenges in understanding the electrocatalytic conversion of carbon dioxide to fuels
YY Birdja, E Pérez-Gallent, MC Figueiredo, AJ Göttle, F Calle-Vallejo, ...
Nature Energy 4 (9), 732-745, 2019
8392019
Theoretical Considerations on the Electroreduction of CO to C2 Species on Cu(100) Electrodes
F Calle‐Vallejo, MTM Koper
Angewandte Chemie 125 (28), 7423-7426, 2013
6782013
Finding optimal surface sites on heterogeneous catalysts by counting nearest neighbors
F Calle-Vallejo, J Tymoczko, V Colic, QH Vu, MD Pohl, K Morgenstern, ...
Science 350 (6257), 185-189, 2015
6722015
Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
F Calle-Vallejo, D Loffreda, MTM Koper, P Sautet
Nature Chemistry 7 (5), 403-410, 2015
5382015
Tuning the activity of Pt (111) for oxygen electroreduction by subsurface alloying
IEL Stephens, AS Bondarenko, FJ Perez-Alonso, F Calle-Vallejo, L Bech, ...
Journal of the American Chemical Society 133 (14), 5485-5491, 2011
4642011
Guidelines for the rational design of Ni-based double hydroxide electrocatalysts for the oxygen evolution reaction
O Diaz-Morales, I Ledezma-Yanez, MTM Koper, F Calle-Vallejo
ACS Catalysis 5 (9), 5380-5387, 2015
4452015
Density functional studies of functionalized graphitic materials with late transition metals for oxygen reduction reactions
F Calle-Vallejo, JI Martínez, J Rossmeisl
Physical Chemistry Chemical Physics 13 (34), 15639-15643, 2011
3972011
Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers
F Calle‐Vallejo, JI Martínez, JM García‐Lastra, P Sautet, D Loffreda
Angewandte Chemie International Edition 53 (32), 8316-8319, 2014
3602014
Identifying active surface phases for metal oxide electrocatalysts: a study of manganese oxide bi-functional catalysts for oxygen reduction and water oxidation catalysis
HY Su, Y Gorlin, IC Man, F Calle-Vallejo, JK Nørskov, TF Jaramillo, ...
Physical Chemistry Chemical Physics 14 (40), 14010-14022, 2012
3142012
Spectroscopic observation of a hydrogenated CO dimer intermediate during CO reduction on Cu (100) electrodes
E Pérez‐Gallent, MC Figueiredo, F Calle‐Vallejo, MTM Koper
Angewandte Chemie 129 (13), 3675-3678, 2017
2932017
Number of outer electrons as descriptor for adsorption processes on transition metals and their oxides
F Calle-Vallejo, NG Inoglu, HY Su, JI Martinez, IC Man, MTM Koper, ...
Chemical Science 4 (3), 1245-1249, 2013
2502013
Structure-and potential-dependent cation effects on CO reduction at copper single-crystal electrodes
E Pérez-Gallent, G Marcandalli, MC Figueiredo, F Calle-Vallejo, ...
Journal of the American Chemical Society 139 (45), 16412-16419, 2017
2432017
Electrochemical water splitting by gold: evidence for an oxide decomposition mechanism
O Diaz-Morales, F Calle-Vallejo, C de Munck, MTM Koper
Chemical Science 4 (6), 2334-2343, 2013
2342013
Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces
F Calle-Vallejo, JI Martínez, JM García-Lastra, J Rossmeisl, MTM Koper
Physical Review Letters 108 (11), 116103, 2012
2092012
Tailoring the catalytic activity of electrodes with monolayer amounts of foreign metals
F Calle-Vallejo, MTM Koper, AS Bandarenka
Chemical Society Reviews 42 (12), 5210-5230, 2013
2072013
First-principles computational electrochemistry: Achievements and challenges
F Calle-Vallejo, MTM Koper
Electrochimica Acta 84, 3-11, 2012
1942012
Adsorption-driven surface segregation of the less reactive alloy component
KJ Andersson, F Calle-Vallejo, J Rossmeisl, I Chorkendorff
Journal of the American Chemical Society 131 (6), 2404-2407, 2009
1852009
Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale
T Jahnke, G Futter, A Latz, T Malkow, G Papakonstantinou, G Tsotridis, ...
Journal of Power Sources 304, 207-233, 2016
1812016
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