Javier Carrasco
Javier Carrasco
Ramon y Cajal Fellow, CIC Energigune, Miñano (Alava), Spain
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First-principles and study of cerium oxides: Dependence on the effective U parameter
C Loschen, J Carrasco, KM Neyman, F Illas
Physical Review B 75 (3), 035115, 2007
A molecular perspective of water at metal interfaces
J Carrasco, A Hodgson, A Michaelides
Nature materials 11 (8), 667-674, 2012
Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
W Liu, J Carrasco, B Santra, A Michaelides, M Scheffler, A Tkatchenko
Physical Review B 86 (24), 245405, 2012
Dry Reforming of Methane on a Highly‐Active Ni‐CeO2 Catalyst: Effects of Metal‐Support Interactions on C−H Bond Breaking
Z Liu, DC Grinter, PG Lustemberg, TD Nguyen‐Phan, Y Zhou, S Luo, ...
Angewandte Chemie International Edition 55 (26), 7455-7459, 2016
A one-dimensional ice structure built from pentagons
J Carrasco, A Michaelides, M Forster, S Haq, R Raval, A Hodgson
Nature materials 8 (5), 427-431, 2009
Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors
T Deng, W Zhang, O Arcelus, JG Kim, J Carrasco, SJ Yoo, W Zheng, ...
Nature communications 8 (1), 15194, 2017
In Situ and Theoretical Studies for the Dissociation of Water on an Active Ni/CeO2 Catalyst: Importance of Strong Metal–Support Interactions for the Cleavage of O …
J Carrasco, D López‐Durán, Z Liu, T Duchoň, J Evans, SD Senanayake, ...
Angewandte Chemie International Edition 54 (13), 3917-3921, 2015
The role of van der Waals forces in water adsorption on metals
J Carrasco, J Klimeš, A Michaelides
The Journal of chemical physics 138 (2), 024708, 2013
First principles analysis of the stability and diffusion of oxygen vacancies in metal oxides
J Carrasco, N Lopez, F Illas
Physical review letters 93 (22), 225502, 2004
First-principles calculations of the atomic and electronic structure of centers in the bulk and on the (001) surface of
J Carrasco, F Illas, N Lopez, EA Kotomin, YF Zhukovskii, RA Evarestov, ...
Physical Review B 73 (6), 064106, 2006
Ultrahigh performance all solid-state lithium sulfur batteries: salt anion’s chemistry-induced anomalous synergistic effect
GG Eshetu, X Judez, C Li, M Martinez-Ibañez, I Gracia, O Bondarchuk, ...
Journal of the American chemical society 140 (31), 9921-9933, 2018
To wet or not to wet? Dispersion forces tip the balance for water ice on metals
J Carrasco, B Santra, J Klimeš, A Michaelides
Physical review letters 106 (2), 026101, 2011
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
J Carrasco, W Liu, A Michaelides, A Tkatchenko
The Journal of chemical physics 140 (8), 084704, 2014
Dual Substitution Strategy to Enhance Li+ Ionic Conductivity in Li7La3Zr2O12 Solid Electrolyte
L Buannic, B Orayech, JM Lopez Del Amo, J Carrasco, NA Katcho, ...
Chemistry of materials 29 (4), 1769-1778, 2017
Room-Temperature Activation of Methane and Dry Re-forming with CO2 on Ni-CeO2(111) Surfaces: Effect of Ce3+ Sites and Metal–Support Interactions on C–H …
PG Lustemberg, PJ Ramírez, Z Liu, RA Gutierrez, DG Grinter, J Carrasco, ...
Acs Catalysis 6 (12), 8184-8191, 2016
Insight into the Adsorption of Water on the Clean CeO2(111) Surface with van der Waals and Hybrid Density Functionals
D Fernandez-Torre, K Kosmider, J Carrasco, MV Ganduglia-Pirovano, ...
The Journal of Physical Chemistry C 116 (25), 13584-13593, 2012
Ultralow-density nanocage-based metal-oxide polymorphs
J Carrasco, F Illas, ST Bromley
Physical review letters 99 (23), 235502, 2007
When the reporter induces the effect: unusual IR spectra of CO on Au1/MgO (001)/Mo (001)
M Sterrer, M Yulikov, T Risse, HJ Freund, J Carrasco, F Illas, C Di Valentin, ...
Angewandte Chemie International Edition 45 (16), 2633-2635, 2006
Hydrogen activation, diffusion, and clustering on CeO2(111): A DFT+U study
D Fernández-Torre, J Carrasco, MV Ganduglia-Pirovano, R Pérez
The Journal of chemical physics 141 (1), 014703, 2014
Molecular-Level Understanding of CeO2 as a Catalyst for Partial Alkyne Hydrogenation
J Carrasco, G Vilé, D Fernández-Torre, R Pérez, J Pérez-Ramírez, ...
The Journal of Physical Chemistry C 118 (10), 5352-5360, 2014
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