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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.
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https://hal.archives-ouvertes.fr/hal-01985588
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Submitted on : Monday, January 28, 2019 - 10:22:09 AM
Last modification on : Wednesday, April 14, 2021 - 3:50:03 PM
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Volker Deringer, Céline Merlet, Yuchen Hu, Tae Lee, John Kattirtzi, et al.. Towards an atomistic understanding of disordered carbon electrode materials. Chemical Communications, Royal Society of Chemistry, 2018, 54 (47), pp.5988-5991. ⟨10.1039/c8cc01388h⟩. ⟨hal-01985588⟩

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