| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1520386 | Materials Chemistry and Physics | 2016 | 6 Pages |
Abstract
Based on density functional theory computation, we systematically investigated diffusion behavior of Mg ions in β-tin (Sn), bismuth (Bi), and their magnesiation compounds of Bi2Mg3 and Mg2Sn. Results showed that the β-Sn and Bi are good candidates for the anode materials for Mg ion batteries with small diffusion barriers. The dynamic simulations and the obtained energy barriers showed that compared with β-Sn, Bi is a better anode candidate with fast charge/discharge rates for the Mg ion batteries.
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Authors
Wei Jin, Zhijie Li, Zhiguo Wang, Y.Q. Fu,