J
Javier Carrasco
Researcher at Spanish National Research Council
Publications - 121
Citations - 7350
Javier Carrasco is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Density functional theory & van der Waals force. The author has an hindex of 40, co-authored 108 publications receiving 5992 citations. Previous affiliations of Javier Carrasco include London Centre for Nanotechnology & Centre national de la recherche scientifique.
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First-principles LDA + U and GGA + U study of cerium oxides: Dependence on the effective U parameter
TL;DR: In this article, the properties of cerium oxides have been studied in the framework of the LDA+\mathrm{U} and GGA+\Mathrm{GGA} implementations of density functional theory, and the dependence of selected observables on the effective U parameter has been investigated in detail.
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A molecular perspective of water at metal interfaces
TL;DR: This Review discusses the most exciting work in this area, in particular the emerging physical insight and general concepts about how water binds to metal surfaces, and provides a perspective on outstanding problems, challenges and open questions.
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Dry Reforming of Methane on a Highly-Active Ni-CeO2 Catalyst: Effects of Metal-Support Interactions on C-H Bond Breaking.
Zongyuan Liu,David C. Grinter,Pablo G. Lustemberg,Thuy-Duong Nguyen-Phan,Yinghui Zhou,Si Luo,Iradwikanari Waluyo,Ethan J. Crumlin,Dario Stacchiola,Jing Zhou,Javier Carrasco,H. Fabio Busnengo,M. Verónica Ganduglia-Pirovano,Sanjaya D. Senanayake,José A. Rodriguez,José A. Rodriguez +15 more
TL;DR: Experiments of ambient pressure XPS indicate that methane dissociates on Ni/CeO2 at temperatures as low as 300 K, generating CHx and COx species on the surface of the catalyst.
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Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding
Wei Liu,Javier Carrasco,Biswajit Santra,Biswajit Santra,Angelos Michaelides,Matthias Scheffler,Alexandre Tkatchenko +6 more
TL;DR: In this paper, the van der Waals (vdW) interactions contribute significantly to the binding in physisorbed systems, but the role of the vdW energy in chemisorption remains unclear.
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Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitors
Ting Deng,Wei Zhang,Oier Arcelus,Jin-Gyu Kim,Javier Carrasco,Seung Jo Yoo,Weitao Zheng,Jiafu Wang,Hongwei Tian,Hengbin Zhang,Xiaoqiang Cui,Teófilo Rojo +11 more
TL;DR: It is found that the high specific capacitance and long cycling life of cobalt hydroxide involve a complete modification of the electrode morphology, which is usually believed to be unfavourable but in fact has little influence on the performance.