作者: Vitaly V. Chaban , Eudes Eterno Fileti , Oleg V. Prezhdo
关键词: Imide 、 Graphite 、 Pyridinium 、 Ionic liquid 、 Exfoliation joint 、 Graphene 、 Chemistry 、 Tetrafluoroborate 、 Inorganic chemistry 、 Physical chemistry 、 Solvation
摘要: Exfoliation is an elegant physical technique to directly obtain graphene from graphite. A search for high-performance exfoliation solvents actively pursued nowadays. We report potentials of mean force and free energies, characterizing steered separation sheets their subsequent solvation by room-temperature ionic liquids (RTILs). The performance N-butylpyridinium bis(trifluoromethanesulfonyl)imide [BPY][TFSI] compared that 1-butyl-1-methylpyrrolidinium [PYR][TFSI]. Both RTILs are shown exhibit comparable performance, which superior the 1-ethyl-3-methylimidazolium tetrafluoroborate ∼20 kJ mol–1 nm–1. sulfur atom TFSI– contributes essential portion enthalpy due its dispersive attraction carbon atoms graphene. maintain a single, moderately defined shell around surface. [PYR][TFSI] suitable starting compounds engi...