Charge transport in organic field-effect transistors

Accessing the electronic structure of liquid crystalline semiconductors with bottom-up electronic coarse-graining

“…The isotropic mobilities (averaged over μ x , μ y , and μ z ) for the isotropic, smectic A, and smectic E phases are ∼10 −7 , ∼10 −4 , and ∼10 −3 cm 2 V −1 s −1 , respectively. Given that zero-field charge mobility is generally 10 3 to 10 4 times smaller than the field-effect mobility, 147–149 the isotropic mobility obtained from our kMC simulation aligns well with the mobility trend and order of magnitudes observed for the benzothienobenzothiophene family in distinct LC phases through experimental measurements. 45,56 These results underscore the robustness of our ECG approach in elucidating the relationship between morphology and electronic properties at CG resolution in a more efficient manner compared to typical multiscale approaches.…”