Mechanism of Charge Transfer in Olivine-Type LiFeSiO4 and LiFe0.5M0.5SiO4 (M = Mg or Al) Cathode Materials: First-Principles Analysis

Journal of Physical Chemistry C

Volumn 119, Issue 17, 2015, Pages 9125-9133

  Sarkar, Tanmay ^a,b   Bharadwaj, Mridula Dixit ^a   Waghmare, Umesh V ^c   Kumar, Parveen ^a  

^a Center for Study of Science   (India)

^b CENTRAL ELECTROCHEMICAL RESEARCH INSTITUTE   (India)

^c JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; CALCULATIONS; CATHODES; CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; LITHIUM COMPOUNDS; LITHIUM-ION BATTERIES; MAGNESIUM; OLIVINE; SILICATE MINERALS; STABILITY;

CATH-ODE MATERIALS; ENVIRONMENTAL FRIENDLINESS; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; INTERCALATION VOLTAGES; LITHIUM INTERCALATION; PROJECTED DENSITY OF STATE; STRUCTURAL STABILITIES; THEORETICAL CAPACITY;

IRON COMPOUNDS;

EID: 84928815891     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b01692     Document Type: Article

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