Exfoliation of Graphene in Ionic Liquids: Pyridinium versus Pyrrolidinium

作者: Vitaly V. Chaban , Eudes Eterno Fileti , Oleg V. Prezhdo

DOI: 10.1021/ACS.JPCC.6B11003

关键词: ImideGraphitePyridiniumIonic liquidExfoliation jointGrapheneChemistryTetrafluoroborateInorganic chemistryPhysical chemistrySolvation

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...

参考文章(64)
Vitaly V. Chaban, Eudes Eterno Fileti, Graphene exfoliation in ionic liquids: unified methodology RSC Advances. ,vol. 5, pp. 81229- 81234 ,(2015) , 10.1039/C5RA16857K
Guilherme Colherinhas, Eudes Eterno Fileti, Vitaly V. Chaban, Can inorganic salts tune electronic properties of graphene quantum dots Physical Chemistry Chemical Physics. ,vol. 17, pp. 17413- 17420 ,(2015) , 10.1039/C5CP02083B
Mohammad Tariq, Mara G. Freire, Benilde Saramago, João A. P. Coutinho, José N. Canongia Lopes, Luís Paulo N. Rebelo, Surface tension of ionic liquids and ionic liquid solutions Chemical Society Reviews. ,vol. 41, pp. 829- 868 ,(2012) , 10.1039/C1CS15146K
Ming Zhou, Jie Tang, Qian Cheng, Gaojie Xu, Ping Cui, Lu-Chang Qin, Few-layer graphene obtained by electrochemical exfoliation of graphite cathode Chemical Physics Letters. ,vol. 572, pp. 61- 65 ,(2013) , 10.1016/J.CPLETT.2013.04.013
Zhengzong Sun, Dustin K. James, James M. Tour, Graphene Chemistry: Synthesis and Manipulation Journal of Physical Chemistry Letters. ,vol. 2, pp. 2425- 2432 ,(2011) , 10.1021/JZ201000A
Hiroki Ago, Yui Ogawa, Masaharu Tsuji, Seigi Mizuno, Hiroki Hibino, Catalytic Growth of Graphene: Toward Large-Area Single-Crystalline Graphene. Journal of Physical Chemistry Letters. ,vol. 3, pp. 2228- 2236 ,(2012) , 10.1021/JZ3007029
Vitaly Chaban, Filling carbon nanotubes with liquid acetonitrile Chemical Physics Letters. ,vol. 496, pp. 50- 55 ,(2010) , 10.1016/J.CPLETT.2010.07.003
José N Canongia Lopes, Johnny Deschamps, Agílio AH Pádua, None, Modeling Ionic Liquids Using a Systematic All-Atom Force Field Journal of Physical Chemistry B. ,vol. 108, pp. 11250- 11250 ,(2004) , 10.1021/JP0362133
H.J.C. Berendsen, D. van der Spoel, R. van Drunen, GROMACS: A message-passing parallel molecular dynamics implementation Computer Physics Communications. ,vol. 91, pp. 43- 56 ,(1995) , 10.1016/0010-4655(95)00042-E