Ab initio and classical molecular dynamics studies of the dilithium phthalocyanine/pyrite interfacial structure

Journal of the Electrochemical Society

Volumn 152, Issue 10, 2005, Pages

  Zhang, Yingchun ^a   Wang, Yixuan ^a   Scanlon, Lawrence G ^b,c   Balbuena, Perla B ^a,c  

^a Texas A and M University   (United States)

^b AIR FORCE RESEARCH LABORATORY   (United States)

^c ELECTROCHEMICAL SOCIETY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC MATRIX STRUCTURE; DILITHIUM PHTHALOCYANINE; EFFECTIVE FORCE FIELDS; INTERFACIAL STRUCTURE;

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; ELECTRIC CONDUCTORS; ELECTRIC FIELDS; ELECTROLYTES; IONS; IRON COMPOUNDS; LITHIUM COMPOUNDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; SECONDARY BATTERIES;

MOLECULAR DYNAMICS;

EID: 27644513736     PISSN: 00134651     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.2008979     Document Type: Article

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