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Issue 47, 2018
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Towards an atomistic understanding of disordered carbon electrode materials

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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.

Graphical abstract: Towards an atomistic understanding of disordered carbon electrode materials

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Publication details

The article was received on 17 Feb 2018, accepted on 30 Apr 2018 and first published on 23 May 2018


Article type: Communication
DOI: 10.1039/C8CC01388H
Citation: Chem. Commun., 2018,54, 5988-5991
  • Open access: Creative Commons BY license
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    Towards an atomistic understanding of disordered carbon electrode materials

    V. L. Deringer, C. Merlet, Y. Hu, T. H. Lee, J. A. Kattirtzi, O. Pecher, G. Csányi, S. R. Elliott and C. P. Grey, Chem. Commun., 2018, 54, 5988
    DOI: 10.1039/C8CC01388H

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