First-principles and study of cerium oxides: Dependence on the effective U parameter C Loschen, J Carrasco, KM Neyman, F Illas Physical Review B—Condensed Matter and Materials Physics 75 (3), 035115, 2007 | 786 | 2007 |
A molecular perspective of water at metal interfaces J Carrasco, A Hodgson, A Michaelides Nature materials 11 (8), 667-674, 2012 | 681 | 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 | 348 | 2016 |
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—Condensed Matter and Materials Physics 86 (24), 245405, 2012 | 339 | 2012 |
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 | 278 | 2017 |
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 | 275 | 2018 |
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 | 273 | 2009 |
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 | 245 | 2015 |
Artificial intelligence applied to battery research: hype or reality? T Lombardo, M Duquesnoy, H El-Bouysidy, F Årén, A Gallo-Bueno, ... Chemical reviews 122 (12), 10899-10969, 2021 | 220 | 2021 |
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), 2013 | 217 | 2013 |
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 | 213 | 2017 |
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 | 205 | 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—Condensed Matter and Materials Physics 73 (6), 064106, 2006 | 203 | 2006 |
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 | 199 | 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), 2014 | 190 | 2014 |
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 | 171 | 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 | 140 | 2012 |
Ultralow-density nanocage-based metal-oxide polymorphs J Carrasco, F Illas, ST Bromley Physical review letters 99 (23), 235502, 2007 | 139 | 2007 |
Origins of Bistability and Na Ion Mobility Difference in P2‐ and O3‐Na2/3Fe2/3Mn1/3O2 Cathode Polymorphs NA Katcho, J Carrasco, D Saurel, E Gonzalo, M Han, F Aguesse, T Rojo Advanced Energy Materials 7 (1), 1601477, 2017 | 131 | 2017 |
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 | 128 | 2014 |