Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 119, Issue 24, Pages 13496-13501Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b03407
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Funding
- Ministry of Education of Singapore via an AcRF Tier 1 Grant [R-265-000-494-112]
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We present a comparative, combined ab initio and experimental study of sodium and lithium storage in amorphous (glassy) carbon (a-C) versus graphite. Amorphous structures are obtained by fitting stochastically generated structures to a reference radial distribution function. Li insertion is thermodynamically favored in both graphite and a-C. While sodium insertion is thermodynamically unfavored in graphite, a-C possesses multiple insertion sites with binding energies stronger than Na cohesive energy, making it usable as anode material for Na-ion batteries, Binding energy of Na is predicted to be stronger than the Na cohesive energy for Na concentrations corresponding to a capacity of about 200 mAh/g. These results are confirmed by experimental measurements using highly amorphous carbon, in which a specific capacity of 173 mAh/g for Na is obtained after 100 cycles.
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