Javier Carrasco

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Angelos MichaelidesUniversity of CambridgeVerifisert e-postadresse på cam.ac.uk
Francesc IllasDepartament de Ciència de Materials i Química Fisica & IQTCUB, Universitat de BarcelonaVerifisert e-postadresse på ub.edu
Oier ArcelusLaboratoire de Réactivité et Chimie des SolidesVerifisert e-postadresse på cicenergigune.com
nebil a. katcho; n. a. katchoResearch Engineer, Institut Laue LangevinVerifisert e-postadresse på ill.fr
Sanjaya D. SenanayakeSenior Chemist, Chemistry Division, Brookhaven National LaboratoryVerifisert e-postadresse på bnl.gov
Wei LiuChangchun Institute of Applied Chemistry, Chinese Academy of SciencesVerifisert e-postadresse på ciac.ac.cn
Zongyuan LiuResearch Associate, Chemistry Division, Brookhaven National LaboratoryVerifisert e-postadresse på bnl.gov
Jiri KlimesResearcher (academic), Faculty of Mathematics and Physics, Charles University, PragueVerifisert e-postadresse på karlov.mff.cuni.cz
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerifisert e-postadresse på fhi-berlin.mpg.de
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerifisert e-postadresse på uni.lu
Ruben PerezProfessor & Director, Condensed Matter Physics Center (IFIMAC), Universidad Autonoma de MadridVerifisert e-postadresse på uam.es
Hans-Joachim FreundProfessor, Fritz-Haber-InstitutVerifisert e-postadresse på fhi-berlin.mpg.de
Timothy J. LawtonNatick Soldier Research, Development and Engineering CenterVerifisert e-postadresse på mail.mil
Biswajit SantraSenior Scientist II, Schrödinger, Inc.Verifisert e-postadresse på schrodinger.com
Gianfranco PacchioniDipartimento di Scienza dei Materiali, Università Milano BicoccaVerifisert e-postadresse på unimib.it
Cristiana Di ValentinProfessore di Chimica Generale ed Inorganica, Università di Milano BicoccaVerifisert e-postadresse på mater.unimib.it
Ariel LozanoULBVerifisert e-postadresse på ulb.be
Joachim MaierDirector Emeritus, Max Planck Institute for Solid State ResearchVerifisert e-postadresse på fkf.mpg.de
Ashleigh BaberJames Madison UniversityVerifisert e-postadresse på jmu.edu
Stefan T. BromleyICREA Research ProfessorVerifisert e-postadresse på ub.edu

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Javier Carrasco

Ramon y Cajal Fellow, CIC Energigune, Miñano (Alava), Spain

Verifisert e-postadresse på cicenergigune.com - Startside

Chemistry Theoretical Catalysis Quantum Chemistry Computational Chemistry Physiscs


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
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	806	2007
A molecular perspective of water at metal interfaces J Carrasco, A Hodgson, A Michaelides Nature materials 11 (8), 667-674, 2012	707	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	376	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	341	2012
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	293	2018
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	289	2017
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	285	2021
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	276	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	248	2015
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	234	2017
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	227	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	210	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	208	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	204	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	192	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	181	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	143	2012
Origins of Bistability and Na Ion Mobility Difference in P2‐ and O3‐Na_2/3Fe_2/3Mn_1/3O₂ Cathode Polymorphs NA Katcho, J Carrasco, D Saurel, E Gonzalo, M Han, F Aguesse, T Rojo Advanced Energy Materials 7 (1), 1601477, 2017	142	2017
Ultralow-density nanocage-based metal-oxide polymorphs J Carrasco, F Illas, ST Bromley Physical review letters 99 (23), 235502, 2007	141	2007
Designer anion enabling solid-state lithium-sulfur batteries H Zhang, U Oteo, X Judez, GG Eshetu, M Martinez-Ibanez, J Carrasco, ... Joule 3 (7), 1689-1702, 2019	138	2019

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