Conduction of Li + cations in ethylene carbonate (EC) and propylene carbonate (PC): Comparative studies using density functional theory

Journal of Solid State Electrochemistry

Volumn 16, Issue 2, 2012, Pages 435-441

  Bhatt, Mahesh Datt ^a   Cho, Maenghyo ^a   Cho, Kyeongjae ^a,b  

^a Seoul National University   (South Korea)

^b The University of Texas at Dallas   (United States)

Author keywords

Density functional theory; Electron affinity; Lithium ion battery; Propylene carbonate; Solvation energy

Indexed keywords

BASIS SETS; COMPARATIVE STUDIES; DESOLVATION ENERGY; ETHYLENE CARBONATE; HEATS OF FORMATION; HYBRID PARAMETERS; LITHIUM IONS; LITHIUM-ION BATTERY; OPTIMIZED STRUCTURES; PROPYLENE CARBONATE; SOLVATION ENERGY; THEORETICAL CALCULATIONS;

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ETHYLENE; LITHIUM BATTERIES; SOLVATION;

POSITIVE IONS;

EID: 84858865963     PISSN: 14328488     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10008-011-1350-7     Document Type: Article

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