Electronic structure modeling of electrochemical reactions at electrode/electrolyte interfaces in lithium ion batteries

Journal of Physical Chemistry C

Volumn 117, Issue 4, 2013, Pages 1539-1547

  Leung, Kevin ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; ATOMIC-LENGTH SCALE; ELECTROCHEMICAL REACTIONS; ELECTRODE/ELECTROLYTE INTERFACES; ETHYLENE CARBONATE; EXPERIMENTAL CONDITIONS; INTERCALATED GRAPHITE; KINETICALLY CONTROLLED; LIQUID STATE; LITHIUM METALS; LITHIUM-ION BATTERY; SCIENCE DEVELOPMENT; SIMULATION TECHNIQUE; WATER-SOLID INTERFACES;

CALCULATIONS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRIC BATTERIES; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; ETHYLENE; GRAPHITE; LIQUIDS; LITHIUM; LITHIUM BATTERIES; MANGANESE COMPOUNDS; MOLECULAR DYNAMICS; REACTION KINETICS;

PHASE INTERFACES;

EID: 84874005025     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp308929a     Document Type: Article

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