Towards an atomistic understanding of disordered carbon electrode materials.
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ABSTRACT:
SUBMITTER: Deringer VL
PROVIDER: S-EPMC5994876 | biostudies-other | 2018 Jun
REPOSITORIES: biostudies-other
Publications
Towards an atomistic understanding of disordered carbon electrode materials.
Deringer Volker L VL Merlet Céline C Hu Yuchen Y Lee Tae Hoon TH Kattirtzi John A JA Pecher Oliver O Csányi Gábor G Elliott Stephen R SR Grey Clare P CP
Chemical communications (Cambridge, England) 20180601 47
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. ...[more]
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