We study the role of electron-vibration coupling, electronic polarization, molecular packing, system size and electron delocalization on the nature of the charge-transfer states in model donor-acceptor systems. The morphologies we consider range from a bilayer with flat interface to a bilayer with rough interface and bulk heterojunctions with coarse and fine intercalated domains of donor and acceptor molecules. The implications of the charge-transfer states, active material morphology, density of states and charge carrier concentration on non-geminate recombination kinetics is investigated by means of a three-dimensional reaction-diffusion lattice model with the charge carrier hopping rate described by the Miller-Abrahams formalism.

Date Published: 11 November 2016
PDF: 1 pages
Proc. SPIE 9923, Physical Chemistry of Interfaces and Nanomaterials XV, 992306 (11 November 2016); doi: 10.1117/12.2237668

Published in SPIE Proceedings Vol. 9923:
Physical Chemistry of Interfaces and Nanomaterials XV
Artem A. Bakulin; Robert Lovrincic; Natalie Banerji, Editor(s)