First-principles investigation of the electronic and Li-ion diffusion properties of LiFePO4 by sulfur surface modification

Journal of Applied Physics

Volumn 116, Issue 6, 2014, Pages

  Xu, Guigui ^a,b   Zhong, Kehua ^a,b   Zhang, Jian Min ^a,b   Huang, Zhigao ^a,b  

^a FUJIAN NORMAL UNIVERSITY   (China)

^b Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; DIFFUSION; LITHIUM; LITHIUM ALLOYS;

CONDUCTIVE PROPERTIES; DIFFUSION PROPERTIES; ELECTROCHEMICAL PERFORMANCE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; NUDGED ELASTIC BAND METHODS; ONE-DIMENSIONAL CHANNELS; SULFUR MODIFICATIONS;

SULFUR;

EID: 84906311330     PISSN: 00218979     EISSN: 10897550     Source Type: Journal    
DOI: 10.1063/1.4892018     Document Type: Article

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