Experimental and theoretical investigations of nitro-group doped porous carbon as a high performance lithium-ion battery anode
- 5 August 2015
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Materials Chemistry A
- Vol. 3 (36), 18657-18666
- https://doi.org/10.1039/c5ta05676d
Abstract
The lithium adsorption abilities of various functional groups (NH2, NO2, SO3H, Cl, Br, I) are studied by first-principles quantum chemical calculations which are doped at the edge of graphene sheets. Among all the groups, the nitro-group shows the best properties.Funding Information
- National Natural Science Foundation of China (NSFC, 21271163, U1232211)
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