First-principles investigation on the lithium ion insertion/extraction in trirutile LixFeF3

Electrochemistry

Volumn 81, Issue 1, 2013, Pages 12-15

  Zheng, Yin ^a   Li, Rui Fa ^a   Wu, Shun Qing ^a   Wen, Yu Hua ^a   Zhu, Zi Zhong ^a   Yang, Yong ^b  

^a XIAMEN UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

Author keywords

Ab initio calculations; Electronic structures; Lithium insertion; Trirutile LixFeF3

Indexed keywords

AB INITIO CALCULATIONS; ANTIFERROMAGNETICS; CRYSTALLINE STRUCTURE; FIRST-PRINCIPLES INVESTIGATIONS; LI INTERCALATION; LITHIUM INSERTION; LITHIUM-ION INSERTION/EXTRACTION; TRIRUTILE LIXFEF3;

ANTIFERROMAGNETISM; CALCULATIONS; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE;

LITHIUM;

EID: 84874928392     PISSN: 13443542     EISSN: None     Source Type: Journal    
DOI: 10.5796/electrochemistry.81.12     Document Type: Article

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