Conformational Heterogeneity and Interchain Percolation Revealed in an Amorphous Conjugated Polymer.

ABSTRACT: Conjugated polymers are employed in a variety of application areas due to their bright fluorescence and strong biocompatibility. However, understanding the structure of amorphous conjugated polymers on the nanoscale is extremely challenging compared to their related crystalline phases. Using a bespoke classical force field, we study amorphous poly(9,9-di-n-octylfluorene-alt-benzothiadiazole) (F8BT) with molecular dynamics simulations to investigate the role that its nanoscale structure plays in controlling its emergent (and all-important) optical properties. Notably, we show that a giant percolating cluster exists within amorphous F8BT, which has ramifications in understanding the nature of interchain species that drive the quantum yield reduction and bathochromic shift obser

SUBMITTER: Ziolek RM 

PROVIDER: S-EPMC9527807 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature