Computational Screening of Anode Materials for Sodium-Ion Batteries
- Authors
- Yu, Seungho; Kim, Sang-Ok; Kim, Hyung-Seok; Choi, Wonchang
- Issue Date
- 2019-06
- Publisher
- Electrochemical Society, Inc.
- Citation
- Journal of the Electrochemical Society, v.166, no.10, pp.A1915 - 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 similar to 1000 mAh/g with low reaction potentials of similar to 0.3 V. (c) 2019 The Electrochemical Society.
- Keywords
- HIGH-PERFORMANCE ANODE; NEGATIVE ELECTRODE; 1ST PRINCIPLES; HIGH-CAPACITY; LITHIUM-ION; LI; NANOCOMPOSITES; STABILITY; INSERTION; STORAGE
- ISSN
- 0013-4651
- URI
- https://pubs.kist.re.kr/handle/201004/119942
- DOI
- 10.1149/2.0691910jes
- Appears in Collections:
- KIST Article > 2019
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