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The Effect Of Ionic Liquid Adsorption On The Electronic And Optical Properties Of Fluorographene Nanosheets, Mehdi Shakourian-Fard, S. Maryamdokht Taimoory, Volodymyr Semeniuchenko, Ganesh Kamath, John F. Trant
The Effect Of Ionic Liquid Adsorption On The Electronic And Optical Properties Of Fluorographene Nanosheets, Mehdi Shakourian-Fard, S. Maryamdokht Taimoory, Volodymyr Semeniuchenko, Ganesh Kamath, John F. Trant
Chemistry and Biochemistry Publications
In the present study, we investigate the adsorption characteristics of six different ionic liquids (ILs) on a fully-fluorinated graphene (fluorographene, FG) surface using electronic structure studies and associated analysis methods. A systematic comparison of differences in IL binding energies (ΔEb) with fluorographene, graphene and hexagonal boron nitride surfaces indicates that fluorination strongly decreases the binding energy compared to the other two surfaces, hence resulting in the binding energetics: ΔEb (Graphene…IL) > ΔEb (Hexagonal boron-nitride…IL) > ΔEb (Fluorographene…IL). To probe the reasons for this difference, quantum theory of atoms in molecules (QTAIM) analysis and non-covalent interactions (NCI) analyses were carried out. Results indicate …