Short-range order and Li+ ion diffusion mechanisms in Li 5La9□2(TiO3)16 (LLTO)

Solid State Ionics

Volumn 183, Issue 1, 2011, Pages 1-6

  Catti, Michele ^a  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

Author keywords

Ab initio calculations; Lithium ion conduction mechanisms; LLTO

Indexed keywords

AB INITIO CALCULATIONS; B3LYP HAMILTONIAN; COORDINATION POLYHEDRA; GAUSSIANS; ION DIFFUSION; LAYERS OF THICKNESS; LI ATOMS; LITHIUM CONDUCTORS; LITHIUM DIFFUSION; LITHIUM ION CONDUCTION MECHANISMS; LLTO; LOCALIZED BASIS SETS; MONOCLINIC SYMMETRY; NEAREST-NEIGHBOUR; NEIGHBOURING IONS; ORDERED CONFIGURATION; QUANTUM MECHANICAL; SHORT RANGE ORDERS; SHORT-RANGE ORDER PARAMETERS; STRUCTURAL CONFIGURATIONS; SUPER CELL; SUPERIONIC; TIO; TOTAL ENERGY; UNIT CELLS;

ACTIVATION ENERGY; CALCULATIONS; IONS; LITHIUM ALLOYS; PEROVSKITE;

LITHIUM;

EID: 79551692766     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2010.12.016     Document Type: Article

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