Ab Initio Calculations of Open-Cell Voltage in Li-Ion Organic Radical Batteries

Journal of Physical Chemistry C

Volumn 119, Issue 41, 2015, Pages 23373-23378

  Dardenne, Nicolas ^a   Blase, Xavier ^b   Hautier, Geoffroy ^a   Charlier, Jean Christophe ^a   Rignanese, Gian Marco ^a  

^a UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

^b UNIV GRENOBLE ALPES   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRONIC PROPERTIES; PERTURBATION TECHNIQUES; POLYMERS; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; ACCURATE ESTIMATION; EXPERIMENTAL VALUES; MANY BODY PERTURBATION THEORY; NITROXIDE RADICAL POLYMERS; ORGANIC RADICAL BATTERY; QUANTUM-CHEMICAL METHODS; REDUCTION POTENTIAL;

LITHIUM-ION BATTERIES;

EID: 84944397144     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07886     Document Type: Article

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