Theoretical study of the structural evolution of a Na2FeMn(CN)6 cathode upon Na intercalation

Chemistry of Materials

Volumn 27, Issue 10, 2015, Pages 3763-3768

  Xiao, Penghao ^a   Song, Jie ^b   Wang, Long ^b   Goodenough, John B ^b   Henkelman, Graeme ^a  

^a The University of Texas at Austin   (United States)

^b The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATHODES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; IRON COMPOUNDS; LITHIUM COMPOUNDS;

COULOMB ATTRACTION; COVALENT BONDING; NEW CATHODE MATERIAL; PRUSSIAN BLUE ANALOGS; RHOMBOHEDRAL PHASE; STRUCTURAL EVOLUTION; THEORETICAL STUDY; VOLUME REDUCTIONS;

MANGANESE COMPOUNDS;

EID: 84930663530     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/acs.chemmater.5b01132     Document Type: Article

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