Study on the Li1-xNi0.5Mn1.5O4 for Lithium Ion Batteries: a First-Principles Theory

The crystal structure, voltage and capacity of Li1-xNi0.5Mn1.5O4 were studied by using the first principle theory. The results show that the structure of Li1-xNi0.5Mn1.5O4 has changed, and the lattice parameter decreased from 8.342 Å to 8.247 Å with the decrease of Li content. But the change in each...

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Veröffentlicht in:	International journal of electrochemical science 2017-12, Vol.12 (12), p.11309-11315
Hauptverfasser:	Chen, Haiyan, Lan, Lingxiao, Huang, Meihong, Liang, Xinghua, Zhao, Yuchao, Tang, Fawei
Format:	Artikel
Sprache:	eng
Schlagworte:	delithiated first-principles formation energy Li1-xNi0.5Mn1.5O4
Online-Zugang:	Volltext
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