Influence of pressure on elasticity, mechanical properties, and Li diffusion in battery electrode material LiCoO2: First-principles calculations

This study used first-principles calculations based on density functional theory with generalized gradient approximation (GGA) of the Perdew Burke and Ernzerhof (PBE) parameterized form to investigate the influence of pressure on the structural, elastic, and mechanical properties of rhombohedral LiC...

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發表在:	Results in Physics
Main Authors:	Wutthigrai Sailuam, Ittipon Fongkaew, Wutthikrai Busayaporn, Rakchat Klinkla, Kanoknan Phacheerak
格式:	Article
語言:	英语
出版:	Elsevier 2023-09-01
主題:	LiCoO2 First-principles calculations Li diffusion Mechanical properties
在線閱讀:	http://www.sciencedirect.com/science/article/pii/S2211379723005818