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Towards an atomistic understanding of disordered carbon electrode materials

Deringer, Volker L. and Merlet, Céline and Hu, Yuchen and Lee, Tae Hoon and Kattirtzi, John A. and Pecher, Oliver and Csányi, Gábor and Elliott, Stephen R. and Grey, Clare P. Towards an atomistic understanding of disordered carbon electrode materials. (2018) Chemical Communications, 54 (47). 5988-5991. ISSN 1359-7345

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Official URL: http://dx.doi.org/10.1039/c8cc01388h

Abstract

Disordered nanoporous and “hard” carbons are widely used in batteries and supercapacitors, but their atomic structures are poorly determined. Here, we combine machine learning and DFT to obtain new atomistic insight into carbonaceous energy materials. We study structural models of porous and graphitic carbons, and Na intercalation as relevant for sodium-ion batteries.

Item Type:Article
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Collège de France (FRANCE)
Other partners > Ecole Nationale Supérieure de Chimie de Paris - ENSCP (FRANCE)
Other partners > Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE)
Other partners > Institut polytechnique de Grenoble (FRANCE)
Other partners > NMR Service GmbH (GERMANY)
Other partners > Sorbonne Université (FRANCE)
Other partners > University of Cambridge (UNITED KINGDOM)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE)
Other partners > Université de Nantes (FRANCE)
Other partners > Université de Picardie Jules Verne (FRANCE)
Other partners > Xiamen University (CHINA)
Other partners > Université de Pau et des Pays de l'Adour - UPPA (FRANCE)
Other partners > Université de Haute Alsace - UHA (FRANCE)
Other partners > Université de Montpellier (FRANCE)
Laboratory name:
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Deposited By: cirimat webmestre
Deposited On:27 Feb 2019 14:39

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