Initial assessment of an empirical potential as a portable tool for rapid investigation of li+ diffusion in li+-battery cathode materials

Journal of Physical Chemistry C

Volumn 118, Issue 21, 2014, Pages 11203-11214

  Kutteh, Ramzi ^a,b   Avdeev, Maxim ^a  

^a AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

^b UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIFFUSION BARRIERS; LITHIUM; MOLECULAR DYNAMICS; SILICATE MINERALS;

COMPUTATIONAL STUDIES; EMPIRICAL POTENTIALS; FIRST-PRINCIPLES APPROACHES; GEOMETRY OPTIMIZATION; GROUND-STATE STRUCTURES; MOLECULAR DYNAMICS SIMULATIONS; RESEARCH ACTIVITIES; TRANSPORT CAPABILITIES;

CATHODES;

EID: 84901752568     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5004402     Document Type: Article

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