First-principles calculations into LiAl(NH2)4 and its derivative hydrides for potential sodium storage

First-principles calculations into LiAl(NH2)4 and its derivative hydrides for potential sodium storage

In this work, we have employed the first-principles quantum physics method to investigate the light-metal based LiAl(NH2)4 and its modified compounds as conversion electrode materials for sodium-ion batteries on the basis of state-of-the-art Density Functional Theory. The pure LiAl(NH2)4 possesses a...

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Bibliographic Details
Main Authors: Yingying Ren, Xiaohan Ren, Rajeev Ahuja, Zhao Qian
Format: Article
Language:English
Published: Elsevier 2020-12-01
Series:Results in Physics
Subjects:
First-principles physics
Atomic-scale design
Light metal based complex hydrides
Sodium-ion battery
Density Functional Theory
Electronic structures
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720318751

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http://www.sciencedirect.com/science/article/pii/S2211379720318751

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