期刊
CHEMICAL COMMUNICATIONS
卷 54, 期 47, 页码 5988-5991出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cc01388h
关键词
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资金
- Alexander von Humboldt Foundation
- Leverhulme Early Career Fellowship
- Isaac Newton Trust
- School of Physical Sciences, University of Cambridge
- European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme [714581]
- ARCHER UK National Supercomputing Service via EPSRC [EP/K014560/1]
- EPSRC [EP/P022596/1, EP/K014560/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/P022596/1] Funding Source: researchfish
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 energymaterials. We study structural models of porous and graphitic carbons, and Na intercalation as relevant for sodium- ion batteries.
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