Ab initio study of EMIM- BF4 crystal interaction with a Li (100) surface as a model for ionic liquid/Li interfaces in Li-ion batteries

Journal of Chemical Physics

Volumn 131, Issue 24, 2009, Pages

  Valencia, Hubert ^a   Kohyama, Masanori ^a   Tanaka, Shingo ^a   Matsumoto, Hajime ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ADHESIVE ENERGY; CLUSTER FORMATIONS; CRYSTAL INTERACTIONS; DISPERSIVE INTERACTIONS; ELECTRON TRANSFER; GENERALIZED GRADIENT APPROXIMATIONS; IMIDAZOLIUM; INTERFACE MODEL; INTERMOLECULAR DISTANCE; INTRAMOLECULAR STRUCTURE; LAYER DEPOSITION; LI-ION BATTERIES; MOLECULAR ADSORPTION; PERIODIC DENSITY; PROJECTOR AUGMENTED WAVES; ROOM TEMPERATURE; SURFACE CELLS; TETRAFLUOROBORATES; THEORETICAL STUDY; VALENCIA; WETABILITY;

ADSORPTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; IONIZATION OF LIQUIDS; IONS; LIQUID CRYSTALS; LITHIUM BATTERIES; LITHIUM COMPOUNDS;

CRYSTAL ATOMIC STRUCTURE;

EID: 73649086563     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3273087     Document Type: Article

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