An ab initio molecular dynamics study of ionic conductivity in hexagonal lithium lanthanum titanate oxide La 0.5Li 0.5TiO 3

Ionics

Volumn 18, Issue 4, 2012, Pages 371-377

  Youmbi, B Sitamtze ^a   Zékeng, Serge ^a   Domngang, Samuel ^a   Calvayrac, Florent ^b   Bulou, Alain ^b  

^a UNIVERSITY OF YAOUNDÉ I   (Cameroon)

^b UNIVERSITÉ DU MAINE   (France)

Author keywords

Ab initio calculations; Density functional theory; Diffusion coefficient; Ionic conductors; Molecular dynamics

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO MOLECULAR DYNAMICS; ARRHENIUS; DENSITY FUNCTIONAL THEORIES (DFT); DISTORTED CELLS; ENERGY SOURCE; HEXAGONAL UNIT CELLS; HIGH TEMPERATURE CONDUCTIVITY; ION-CONDUCTING; IONIC CONDUCTOR; LITHIUM IONS; LITHIUM LANTHANUM TITANATE; LITHIUM-ION BATTERY; ORTHORHOMBIC PEROVSKITE; ROOM TEMPERATURE; SIMPLE CUBIC; TIO;

CALCULATIONS; DIFFUSION; INFORMATION TECHNOLOGY; IONIC CONDUCTION; IONIC CONDUCTIVITY; LITHIUM ALLOYS; LITHIUM COMPOUNDS; MICROELECTRONICS; PEROVSKITE; SOLID ELECTROLYTES;

MOLECULAR DYNAMICS;

EID: 84859155428     PISSN: 09477047     EISSN: 18620760     Source Type: Journal    
DOI: 10.1007/s11581-012-0662-7     Document Type: Article

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