The dynamics of 4-cyano-4-n-pentylbiphenyl (5CB) mesogen molecules located between graphene layers--MD study.
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.
Gwizdała
W
W
Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland. gwizdala@us.edu.pl
Górny
K
K
Gburski
Z
Z
D001713:Biphenyl Compounds / Q000737:chemistry*; D006108:Graphite / Q000737:chemistry*; D007700:Kinetics; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D008970:Molecular Weight; D009570:Nitriles / Q000737:chemistry*; D013696:Temperature
D001713:Biphenyl Compounds; D009570:Nitriles; C433919:4-cyano-4'-pentylbiphenyl; D006108:Graphite