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Computational Materials Science

Volumn 50, Issue 1, 2010, Pages 191-197

A DFT study of VO43- polyanion substitution into the Li-ion battery cathode material Li2FeSiO4

(2) Liivat, Anti a Thomas, John O a

a UPPSALA UNIVERSITY (Sweden)

Author keywords

Crystal structure; DFT calculations; Li ion battery; Polyanion; Positive electrode material; Redox activity; Silicates

Indexed keywords

DFT CALCULATIONS; LI-ION BATTERIES; POLYANIONS; POSITIVE ELECTRODE MATERIALS; REDOX ACTIVITY;

CATHODES; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL ELECTRODES; IONS; LITHIUM COMPOUNDS; MODEL STRUCTURES; OLIVINE; REDOX REACTIONS; SILICATE MINERALS; SULFUR COMPOUNDS;

CRYSTAL STRUCTURE;

EID: 77957951334 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2010.07.025 Document Type: Article

Times cited : (27)

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