The dynamics of 4-cyano-4-n-pentylbiphenyl (5CB) mesogen molecules located between graphene layers-MD study

作者：Gwizdala W; Gorny K; Gburski Z^*

来源：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2011, 79(4): 701-704.

DOI：10.1016/j.saa.2010.08.040

• Mesogenic cluster
• Liquid crystal
• Ultrathin mesogenic layer
• Molecular dynamics simulation (MD)
• 5CB

The ultrathin film of mesogenic molecules 5CB confined between graphene walls has been investigated by molecular dynamics (MD) technique. The dynamical observables of 4-cyano-4-n-pentylbiphenyl (5CB) were calculated for several temperatures: the mean square displacement, translational and angular velocity autocorrelation function, and second-rank order parameter.

• 出版日期2011-8-15