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Journal Articles Chemical Communications Year : 2018

Towards an atomistic understanding of disordered carbon electrode materials

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.
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Dates and versions

hal-01985588 , version 1 (28-01-2019)

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Volker L Deringer, Céline Merlet, Yuchen Hu, Tae Hoon Lee, John A Kattirtzi, et al.. Towards an atomistic understanding of disordered carbon electrode materials. Chemical Communications, 2018, 54 (47), pp.5988-5991. ⟨10.1039/c8cc01388h⟩. ⟨hal-01985588⟩
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