High-throughput quantum chemistry and virtual screening for lithium ion battery electrolyte additives

Journal of Power Sources

Volumn 195, Issue 5, 2010, Pages 1472-1478

  Halls, Mathew D ^a   Tasaki, Ken ^b  

^a ACCELRYS INC   (United States)

^b Mitsubishi Chemical USA   (United States)

Author keywords

Electrolyte additive; Lithium ion battery; Quantum chemistry; SEI formation

Indexed keywords

BATTERY ELECTROLYTE; COMPUTING RESOURCE; CRITICAL STRUCTURES; ELECTROLYTE ADDITIVES; ETHYLENE CARBONATE; HIGH-THROUGHPUT; LITHIUM-ION BATTERY; MATERIALS DESIGN; MATERIALS STRUCTURE; MOLECULAR PROPERTIES; QUANTUM CHEMICAL ANALYSIS; SEMI-EMPIRICAL METHODS; VIRTUAL SCREENING;

CHEMICAL STABILITY; DIGITAL LIBRARIES; ELECTROLYSIS; ELECTROLYTES; ELECTRONIC STRUCTURE; ETHYLENE; IONS; LITHIUM; LITHIUM ALLOYS; LITHIUM BATTERIES; QUANTUM THEORY;

ADDITIVES;

EID: 71549162061     PISSN: 03787753     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpowsour.2009.09.024     Document Type: Article

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