Mg ion dynamics in anode materials of Sn and Bi for Mg-ion batteries

Wei Jin, Zhijie Li, Zhiguo Wang, Yong Qing Fu

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

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.
Original languageEnglish
Pages (from-to)167-172
JournalMaterials Chemistry and Physics
Volume182
Early online date21 Jul 2016
DOIs
Publication statusPublished - 1 Oct 2016

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