화학공학소재연구정보센터
Chemical Physics Letters, Vol.485, No.1-3, 253-257, 2010
Theoretical modeling of influence of the structural disorder on the charge carrier mobility in triphenylene stacks
The tight-binding Hamiltonian is used to describe the charge carrier transport in a stack of triphenylene molecules. The influence of different levels of structural disorder on the on-stack charge carrier mobility is discussed. Structural disorder simulation considers three geometrical parameters: the distance between molecular planes, the twist angle around molecule symmetry axis, and the lateral slide in the direction perpendicular to the stack axis. The calculated values of the charge carrier mobility are compared with experimental data. (C) 2009 Elsevier B. V. All rights reserved.