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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Journal ArticleDOI
Revealing the Mechanism of Sodium Diffusion in NaxFePO4 Using an Improved Force Field
Mauricio R. Bonilla,Ariel Lozano,Bruno Escribano,Javier Carrasco,Elena Akhmatskaya,Elena Akhmatskaya +5 more
TL;DR: In this article, the authors used an advanced simulation technique, Randomized Shell Mass Generalized Shadow Hybrid Monte Carlo Method (RSM-GSHMC) in combination with a specifically developed force field for describing NaxFePO4 over the whole range of sodium compositions, to thoroughly examine Na+ diffusion in this material.
Journal ArticleDOI
High performance P2 sodium layered oxides: an in-depth study into the effect of rationally selected stoichiometry
Nagore Ortiz-Vitoriano,Nicholas E. Drewett,Elena Gonzalo,Begoña Acebedo,Francisco Bonilla,Juan Miguel López del Amo,Jennifer H. Stansby,Jennifer H. Stansby,Neeraj Sharma,Oier Lakuntza,Javier Carrasco,Teófilo Rojo +11 more
TL;DR: In this paper, the authors present two high performance materials synthesized via solid-state reaction: P2-Na2/3Mn 0.9−xNixTi0.05Fe 0.05O2 (x = 0.10 and 0.20, designated Ni 10% and Ni 20% respectively).
Journal ArticleDOI
Unveiling Interfacial Li-Ion Dynamics in Li7La3Zr2O12/PEO(LiTFSI) Composite Polymer-Ceramic Solid Electrolytes for All-Solid-State Lithium Batteries.
Mauricio R. Bonilla,Fabián A. García Daza,Pierre Ranque,Frederic Aguesse,Javier Carrasco,Elena Akhmatskaya,Elena Akhmatskaya +6 more
TL;DR: In this article, molecular dynamics and enhanced Monte Carlo techniques are employed to gain unprecedented insights into the interfacial Li-ion dynamics in a composite polymer-ceramic electrolyte, which integrates polyethylene oxide plus LiN(CF3SO2)2 lithium imide salt (LiTFSI), and Li- ion conductive cubic Li7La3Zr2O12 (LLZO) inclusions.
Alkali Ion Incorporation into V 2 O 5 : a Noncovalent Interactions Analysis
TL;DR: In this article, the authors used the NCI (noncovalent interactions) index to analyze the nature of the chemical bonding between inserted alkali atoms (Li, Na, and K) and vanadia.