Dispersion-corrected DFT investigation on defect chemistry and potassium migration in potassium-graphite intercalation compounds for potassium ion batteries anode materials

Carbon

Volumn 107, Issue , 2016, Pages 885-894

  Xu, Zhenming ^a   Lv, Xiaojun ^a   Chen, Jiangan ^b   Jiang, Liangxing ^a   Lai, Yanqing ^a   Li, Jie ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b JIANGXI UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANODES; ATOMS; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DISPERSIONS; ELECTRIC BATTERIES; ELECTRODES; ELECTRONIC STRUCTURE; GRAPHITE; INTERCALATION; INTERCALATION COMPOUNDS; IONS; POINT DEFECTS; POTASSIUM COMPOUNDS; PROBABILITY DENSITY FUNCTION;

CRYSTALLOGRAPHIC PARAMETERS; DENSITY FUNCTION THEORY; ELECTRONIC CONDUCTIVITY; FIRST-PRINCIPLES CALCULATION; FORMATION ENERGIES; INTERLAYER DISTANCE; MIGRATION BARRIERS; POTASSIUM MIGRATION;

DEFECTS;

EID: 84977267752     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2016.06.101     Document Type: Article

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