Comparative computational study of the diffusion of Li, Na, and Mg in silicon including the effect of vibrations

Solid State Ionics

Volumn 253, Issue , 2013, Pages 157-163

  Legrain, Fleur ^a   Malyi, Oleksandr I ^a   Manzhos, Sergei ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Density functional theory; Diffusion; Li ion battery; Mg ion battery; Na ion battery; Vibrations

Indexed keywords

COMPUTATIONAL STUDIES; EFFECT OF VIBRATION; FREE ENERGY OF FORMATIONS; LI-ION BATTERIES; MG-ION BATTERY; NA-ION BATTERIES; TEMPERATURE DEPENDENT; VIBRATIONS;

ANODES; ATOMS; DENSITY FUNCTIONAL THEORY; DIFFUSION; DIFFUSION BARRIERS; DOPING (ADDITIVES); LITHIUM; METAL IONS; SILICON;

LITHIUM BATTERIES;

EID: 84886905402     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2013.09.038     Document Type: Article

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