DFT+U study of polaronic conduction in Li2O2 and Li2CO3: Implications for Li-air batteries

Journal of Physical Chemistry C

Volumn 117, Issue 11, 2013, Pages 5568-5577

  Garcia Lastra, J M ^a   Myrdal, J S G ^a   Christensen, R ^a   Thygesen, K S ^a   Vegge, T ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BATTERY PERFORMANCE; DELOCALIZED STATE; DENSITY FUNCTIONAL THEORIES (DFT); ELECTRON POLARONS; HOLE POLARONS; LI-AIR BATTERIES; POLARONIC CONDUCTION; PREFERENTIAL GROWTH;

CATHODES; DENSITY FUNCTIONAL THEORY; HOLE MOBILITY; LITHIUM; POLARONS; SEMICONDUCTOR DOPING; TRANSPORT PROPERTIES;

LITHIUM BATTERIES;

EID: 84875433437     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3107809     Document Type: Article

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