Ab Initio Screening of Doped Mg(AlH<sub>4</sub>)<sub>2</sub> Systems for Conversion-Type Lithium Storage

Ab Initio Screening of Doped Mg(AlH<sub>4</sub>)<sub>2</sub> Systems for Conversion-Type Lithium Storage

In this work, we have explored the potential applications of pure and various doped Mg(AlH<sub>4</sub>)<sub>2</sub> as Li-ion battery conversion electrode materials using density functional theory (DFT) calculations. Through the comparisons of the electrochemical specific cap...

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Bibliographic Details
Main Authors:	Zhao Qian, Hongni Zhang, Guanzhong Jiang, Yanwen Bai, Yingying Ren, Wenzheng Du, Rajeev Ahuja
Format:	Article
Language:	English
Published:	MDPI AG 2019-08-01
Series:	Materials
Subjects:	conversion electrode doping design lithium storage light metal hydrides density functional theory electronic structures
Online Access:	https://www.mdpi.com/1996-1944/12/16/2599

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