Towards an atomistic understanding of disordered carbon electrode materials.
Published version
Peer-reviewed
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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
1364-548X
Volume Title
54
Publisher
Royal Society of Chemistry (RSC)
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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)
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)