Meta hybrid density functional theory study of adsorption of imidazolium and ammonium based ionic liquids on graphene sheet

Journal of Physical Chemistry C

Volumn 119, Issue 13, 2015, Pages 7095-7108

  Shakourian Fard, Mehdi ^a   Jamshidi, Zahra ^b   Bayat, Ahmad ^a   Kamath, Ganesh ^c  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^b CHEMISTRY AND CHEMICAL ENGINEERING RESEARCH CENTER OF IRAN   (Iran)

^c UNIVERSITY OF MISSOURI   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; BINDING ENERGY; BOND STRENGTH (MATERIALS); CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; DISPERSIONS; FREE ENERGY; GRAPHENE; HYDROGEN BONDS; IONIC LIQUIDS; NEGATIVE IONS; ORBITAL TRANSFER; POSITIVE IONS; QUANTUM THEORY;

DISPERSION CORRECTION; FREE ENERGY OF ADSORPTION; HEXAFLUOROPHOSPHATES; HOMO-LUMO ENERGY GAP; HYBRID DENSITY FUNCTIONAL THEORY; NON-COVALENT INTERACTION; QUANTUM THEORY OF ATOMS IN MOLECULES; THERMOCHEMICAL ANALYSIS;

DENSITY OF LIQUIDS;

EID: 84926433369     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp512020q     Document Type: Article

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