Li2S Film Formation on Lithium Anode Surface of Li-S batteries

ACS Applied Materials and Interfaces

Volumn 8, Issue 7, 2016, Pages 4700-4708

  Liu, Zhixiao ^a   Bertolini, Samuel ^b   Balbuena, Perla B ^a,b   Mukherjee, Partha P ^a  

^a Texas AandM University   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

ab initio molecular dynamics; density functional theory; first principles approach; Li metal anode; Li2S precipitation; lithium sulfur battery; polysulfide decomposition

Indexed keywords

ANODES; BOND STRENGTH (CHEMICAL); CALCULATIONS; CHEMICAL ANALYSIS; CHEMICAL BONDS; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ELECTRIC BATTERIES; ELECTRODES; ELECTROLYTES; ELECTRONIC STRUCTURE; FILM GROWTH; LITHIUM; METALS; MOLECULAR DYNAMICS; POLYSULFIDES; PRECIPITATION (CHEMICAL); REACTION KINETICS; SECONDARY BATTERIES; SULFUR; SURFACE REACTIONS;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; ENERGETIC PROPERTIES; FIRST-PRINCIPLES APPROACHES; LI METAL; LITHIUM SULFUR BATTERIES; NUCLEATION AND GROWTH; REACTION PATHWAYS;

LITHIUM BATTERIES;

EID: 84962493514     PISSN: 19448244     EISSN: 19448252     Source Type: Journal    
DOI: 10.1021/acsami.5b11803     Document Type: Article

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