Closing the loop between microstructure and charge transport in conjugated polymers by combining microscopy and simulation.

ABSTRACT: A grand challenge in materials science is to identify the impact of molecular composition and structure across a range of length scales on macroscopic properties. We demonstrate a unified experimental-theoretical framework that coordinates experimental measurements of mesoscale structure with molecular-level physical modeling to bridge multiple scales of physical behavior. Here we apply this framework to understand charge transport in a semiconducting polymer. Spatially-resolved nanodiffraction in a transmission electron microscope is combined with a self-consistent framework of the polymer chain statistics to yield a detailed picture of the polymer microstructure ranging from the molecular to device relevant scale. Using these data as inputs for charge transport calculations, the combined

SUBMITTER: Balhorn L 

PROVIDER: S-EPMC9674245 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature