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Towards an atomistic understanding of disordered carbon electrode materials

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 graphit...

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Detalhes bibliográficos
Publicado no:Chem Commun (Camb)
Main Authors: Deringer, Volker L., Merlet, Céline, Hu, Yuchen, Lee, Tae Hoon, Kattirtzi, John A., Pecher, Oliver, Csányi, Gábor, Elliott, Stephen R., Grey, Clare P.
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5994876/
https://ncbi.nlm.nih.gov/pubmed/29790508
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8cc01388h
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