Structural changes on cycling Li2FeSiO4 polymorphs from DFT calculations

Solid State Ionics

Volumn 228, Issue , 2012, Pages 19-24

  Liivat, Anti ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

Crystal structure; Density functional theory; Lithium iron silicate; Solid state electrochemistry

Indexed keywords

CATHODE MATERIALS; CATION MIXING; CELL EXPANSION; DE-LITHIATION; DFT CALCULATION; ELECTROCHEMICAL INSERTION; FE SITES; LI-ION BATTERIES; LITHIUM IRON SILICATE; PARTIAL MIXING; SITE OCCUPATION; SOLID-STATE ELECTROCHEMISTRY; STRUCTURAL CHANGE; TRANSFORMATION MECHANISMS;

CATHODES; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL CELLS; ELECTROCHEMISTRY; IRON OXIDES; MIXING; SILICATES;

LITHIUM;

EID: 84869454350     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2012.08.016     Document Type: Article

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