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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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Dettagli Bibliografici
Pubblicato in:Chem Commun (Camb)
Autori principali: Deringer, Volker L., Merlet, Céline, Hu, Yuchen, Lee, Tae Hoon, Kattirtzi, John A., Pecher, Oliver, Csányi, Gábor, Elliott, Stephen R., Grey, Clare P.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Royal Society of Chemistry 2018
Soggetti:
Accesso online: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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