Investigation of the Effect of Functional Group Substitutions on the Gas-Phase Electron Affinities and Ionization Energies of Room-Temperature Ionic Liquids Ions using Density Functional Theory

Electrochimica Acta

Volumn 55, Issue 11, 2010, Pages 3804-3811

  Ong, Shyue Ping ^a   Ceder, Gerbrand ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

Density functional theory; Electrochemical stability; Electron affinities; Functional group; Ionic liquids; Ionization energies

Indexed keywords

ANION STRUCTURES; BASE CATIONS; DENSITY FUNCTIONAL THEORY CALCULATIONS; ELECTROCHEMICAL DEVICES; ELECTROCHEMICAL STABILITIES; ELECTROCHEMICAL STABILITY; ELECTRON-DONATING; ELECTRONWITHDRAWING; GASPHASE; IONIZATION ENERGIES; RELATIVE STRENGTH; RESONANCE EFFECT; ROOM TEMPERATURE IONIC LIQUIDS;

DENSITY FUNCTIONAL THEORY; DENSITY OF LIQUIDS; ELECTRON AFFINITY; ELECTRONS; FUNCTIONAL GROUPS; IONIC LIQUIDS; IONIZATION POTENTIAL; NEGATIVE IONS; PARTICLE DETECTORS; POSITIVE IONS;

IONIZATION OF LIQUIDS;

EID: 77949489491     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2010.01.091     Document Type: Article

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