Hybrid density functional calculations and molecular dynamics study of lithium fluorosulphate, a cathode material for lithium-ion batteries

Journal of Physical Chemistry C

Volumn 115, Issue 5, 2011, Pages 2600-2603

  Ramzan, Muhammad ^a   Leb̀gue, Sébastien ^b   Kang, Tae W ^c   Ahuja, Rajeev ^d  

^a UPPSALA UNIVERSITY   (Sweden)

^b Nancy University CNRS   (France)

^c Dongguk University   (South Korea)

^d ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; AVERAGE INTERCALATION VOLTAGES; CATHODE MATERIALS; ELECTRON CHARGE DISTRIBUTION; EXPERIMENTAL VALUES; HYBRID DENSITY FUNCTIONAL CALCULATIONS; HYBRID DENSITY FUNCTIONAL THEORY; LI-DIFFUSION; LITHIUM-ION BATTERY;

CALCULATIONS; CATHODES; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LITHIUM ALLOYS; LITHIUM BATTERIES; LITHIUM COMPOUNDS; MOLECULAR DYNAMICS;

LITHIUM;

EID: 79952692472     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp110625a     Document Type: Article

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