Thermal stability of benzorods: molecular-dynamics simulations.
Thermal stability of benzorods 2C6-20C6, which are obtained by stacking n (n=2-20) dehydrogenated benzene, have been investigated by molecular-dynamics simulations. It has been found that these structures assume a geometrical form depending on the number of dehydrogenated benzene layers, and they are stable under heat treatment up to elevated temperatures with a dependence on length.
Malcioglu
Osman Baris
OB
Department of Physics, Middle East Technical University, 06531 Ankara, Turkey.
Erkoc
Sakir
S
D001555:Benzene Derivatives / Q000737:chemistry*; D003198:Computer Simulation; D006358:Hot Temperature; D008958:Models, Molecular; D049329:Nanostructures; D013696:Temperature; D013816:Thermodynamics
D001555:Benzene Derivatives