Surface-mediated solvent decomposition in Li-Air batteries: Impact of peroxide and superoxide surface terminations

Journal of Physical Chemistry C

Volumn 119, Issue 17, 2015, Pages 9050-9060

  Kumar, Nitin ^a   Radin, Maxwell D ^b   Wood, Brandon C ^c   Ogitsu, Tadashi ^c   Siegel, Donald J ^b  

^a The Department of Civil and Environmental Engineering   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIMERS; ELECTRIC BATTERIES; ELECTRIC FIELDS; ELECTROLYTES; LIQUIDS; LITHIUM BATTERIES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; OXIDATION; OXYGEN; PEROXIDES; PHASE INTERFACES; REACTION KINETICS; SECONDARY BATTERIES; SOLVATION; SOLVENTS; VAN DER WAALS FORCES;

AB INITIO MOLECULAR DYNAMICS; ATOMISTIC SIMULATIONS; DECOMPOSITION PATHWAY; ELECTROLYTE DECOMPOSITION; HYDROGEN ABSTRACTION; LIQUID-PHASE PROCESS; NUCLEOPHILIC ATTACK; SOLVENT DECOMPOSITIONS;

LITHIUM;

EID: 84928797381     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b00256     Document Type: Article

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