Repository logo
 

Towards an atomistic understanding of disordered carbon electrode materials.

Published version
Peer-reviewed

Type

Article

Change log

Authors

Deringer, Volker L 
Merlet, Céline 
Hu, Yuchen 
Lee, Tae Hoon 
Kattirtzi, John A 

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.

Description

Keywords

0306 Physical Chemistry (incl. Structural), 0912 Materials Engineering

Journal Title

Chem Commun (Camb)

Conference Name

Journal ISSN

1359-7345
1364-548X

Volume Title

54

Publisher

Royal Society of Chemistry (RSC)
Sponsorship
Isaac Newton Trust (1624(n))
Isaac Newton Trust (17.08(c))
Leverhulme Trust (ECF-2017-278)
Engineering and Physical Sciences Research Council (EP/K014560/1)
Engineering and Physical Sciences Research Council (EP/P022596/1)