Computational Screening of Anode Materials for Sodium-Ion Batteries

Title
Computational Screening of Anode Materials for Sodium-Ion Batteries
Authors
김상옥류승호최원창김형석
Issue Date
2019-06
Publisher
Journal of the Electrochemical Society
Citation
VOL 166, NO 10-A1919
Abstract
Sodium-ion batteries are promising candidates for large scale stationary energy storage systems because of the low cost of Na. However, commercialized graphite anodes used in Li-ion batteries are not suitable for Na-ion batteries and the systematic exploration of anode materials remains challenging. In this study, high-throughput screeningwas performed to identify promising anode materials for use in Na-ion batteries. Alloying and conversion reactions of anode materials were examined using the Materials Project database. The calculations indicated that phosphides exhibited a favorable combination of high theoretical capacity and low reaction potential compared to oxides and sulfides. The computational screening results identified 44 promising anode materials with a high capacity (>500 mAh/g) and low reaction potential (<0.7 V). In particular, six phosphides, CaP3, CrP2, NiP2, VP2, CoP2, and GaP, exhibited high theoretical capacities of ∼1000 mAh/g with low reaction potentials of ∼0.3 V.
URI
http://pubs.kist.re.kr/handle/201004/69483
ISSN
0013-4651
Appears in Collections:
KIST Publication > Article
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