Thermodynamic analysis using first-principles calculations of phases and structures of LixNi0.5Mn1.5O4 (0 ≤ x ≤ 1)

Journal of Power Sources

Volumn 241, Issue , 2013, Pages 1-5

  Kishida, Ippei ^a   Orita, Kengo ^a   Nakamura, Atsutomo ^a   Yokogawa, Yoshiyuki ^a  

^a Osaka Prefecture University   (Japan)

Author keywords

Ab initio calculation; Crystal structure; Electrochemical potential; Thermodynamic stability

Indexed keywords

AB INITIO CALCULATIONS; ELECTROCHEMICAL POTENTIAL; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; PROJECTOR AUGMENTED WAVES; STRUCTURAL TRANSITIONS; THERMO DYNAMIC ANALYSIS;

CALCULATIONS; CATHODES; LITHIUM; MANGANESE; NICKEL; THERMOANALYSIS; THERMODYNAMIC PROPERTIES; THERMODYNAMIC STABILITY;

CRYSTAL STRUCTURE;

EID: 84877982784     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2013.04.099     Document Type: Article

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