Atomistic Modeling of Various Doped Mg<sub>2</sub>NiH<sub>4</sub> as Conversion Electrode Materials for Lithium Storage

Atomistic Modeling of Various Doped Mg<sub>2</sub>NiH<sub>4</sub> as Conversion Electrode Materials for Lithium Storage

In this work, we have compared the potential applications of nine different elements doped Mg<sub>2</sub>NiH<sub>4</sub> as conversion-type electrode materials in Li-ion batteries by means of state-of-the-art Density functional theory calculations. The electrochemical propert...

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Bibliographic Details
Main Authors: Zhao Qian, Guanzhong Jiang, Yingying Ren, Xi Nie, Rajeev Ahuja
Format: Article
Language:English
Published: MDPI AG 2019-05-01
Series:Crystals
Subjects:
conversion electrode materials
doping
metal hydrides
lithium storage
first-principles
Online Access:https://www.mdpi.com/2073-4352/9/5/254

Internet

https://www.mdpi.com/2073-4352/9/5/254

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