Issue 47, 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.

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

Supplementary files

Article information

Article type
Communication
Submitted
17 Feb 2018
Accepted
30 Apr 2018
First published
23 May 2018
This article is Open Access
Creative Commons BY license

Chem. Commun., 2018,54, 5988-5991

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

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements