Effect of Rb and Ta doping on the ionic conductivity and stability of the garnet Li7+2x-y(La3-xRbx)(Zr 2-yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic conductor: A first principles investigation

Chemistry of Materials

Volumn 25, Issue 15, 2013, Pages 3048-3055

  Miara, Lincoln J ^a   Ong, Shyue Ping ^b   Mo, Yifei ^b   Richards, William Davidson ^b   Park, Youngsin ^a   Lee, Jae Myung ^a   Lee, Hyo Sug ^a   Ceder, Gerbrand ^b  

^a Samsung Advanced Institute of Technology (SAIT)   (South Korea)

^b USA   (United States)

Author keywords

ab initio molecular dynamics; garnets; lithium ionic conductivity; solid electrolyte

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES INVESTIGATIONS; MIGRATION PATHWAY; ROOM-TEMPERATURE CONDUCTIVITY; SUPER IONIC CONDUCTORS;

ACTIVATION ENERGY; CALCULATIONS; ELECTRIC CONDUCTORS; GARNETS; IONIC CONDUCTIVITY; LANTHANUM; LATTICE CONSTANTS; MOLECULAR DYNAMICS; SOLID ELECTROLYTES; ZIRCONIUM;

LITHIUM;

EID: 84882237641     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm401232r     Document Type: Article

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