CUED Publications database

Towards an atomistic understanding of disordered carbon electrode materials

Deringer, VL and Merlet, C and Hu, Y and Lee, TH and Kattirtzi, JA and Pecher, O and Csányi, G and Elliott, SR and Grey, CP (2018) Towards an atomistic understanding of disordered carbon electrode materials. Chemical Communications, 54. pp. 5988-5991. ISSN 1359-7345

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Abstract

© 2018 The Royal Society of Chemistry. 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
Subjects: UNSPECIFIED
Divisions: Div C > Applied Mechanics
Div C > Materials Engineering
Depositing User: Cron Job
Date Deposited: 30 Apr 2018 20:08
Last Modified: 04 Mar 2021 04:17
DOI: 10.1039/c8cc01388h