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 screening was 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.
Original language | English |
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Pages (from-to) | A1915-A1919 |
Journal | Journal of the Electrochemical Society |
Volume | 166 |
Issue number | 10 |
DOIs | |
Publication status | Published - 2019 Jan 1 |
Externally published | Yes |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Renewable Energy, Sustainability and the Environment
- Surfaces, Coatings and Films
- Electrochemistry
- Materials Chemistry