https://www.selleckchem.com/pr....oducts/ly3295668.htm
The role of dynamic and static disorder has been widely discussed for carrier transport in organic semiconductors. In this work, we apply a multiscale approach by combining molecular dynamics simulations, quantum mechanics calculations and kinetic Monte-Carlo simulations to study the influence of dynamic and static disorder on the hole mobility of four didodecyl[1]benzothieno[3,2-b]benzothiophene (BTBT-C12) isomers. It is found that the dynamic disorder of transfer integral tends to decrease the mobility for quasi-1D (quasi one-dimens