Chain conformations dictate multiscale charge transport phenomena in disordered semiconducting polymers.
Existing models for the electronic properties of conjugated polymers do not capture the spatial arrangement of the disordered macromolecular chains over which charge transport occurs. Here, we present an analytical and computational description in which the morphology of individual polymer chains is dictated by well-known statistical models and the electronic coupling between units is determined using Marcus theory. The multiscale transport of charges in these materials (high mobility at short length scales, low mobility at long length scales) is naturally described with our framework. Additionally, the dependence of mobility with electric field and temperature is explained in terms of conformational variability and spatial correlation. Our model offers a predictive approach to connecting processing conditions with transport behavior.
Departments of Applied Physics, Materials Science and Engineering, and Chemical Engineering, Stanford University, Stanford, CA 94305.
Rodrigo
R
Noriega
Alberto
A
Salleo
Andrew J
AJ
Spakowitz
D004553:Electric Conductivity; D007700:Kinetics; D008962:Models, Theoretical; D011108:Polymers / Q000737:chemistry*; D012666:Semiconductors
D011108:Polymers
charge mobility; computational model; organic electronics