Space-time dynamics of charge carriers in an energetically and spatially disordered bulk heterojunction (BHJ) organic photovoltaic (OPV) system based on kinetic Monte Carlo (KMC) simulations
Abstract
Abstract Charge transport and recombination in organic photovoltaic (OPV) devices are strongly governed by the nanoscale morphology and the energetic disorder, yet their coupled impact remains insufficiently quantified. Here, we employ a kinetic Monte Carlo framework with explicitly resolved donor–acceptor morphologies generated via an Ising–Kawasaki phase-separation model to investigate the morphology dependent charge dynamics in bulk heterojunction OPVs. The systematic variation of domain size, interfacial mixing, and energetic disorder reveals clear quantitative trends in carrier mobility, lifetime, and recombination kinetics. The simulations show that excessively fine morphologies (
Fields of Study & Subjects
Organic Electronics and Photovoltaics
Organic Light-Emitting Diodes Research
Block Copolymer Self-Assembly
Publication details
- Journal / source
- Journal of Physics D Applied Physics
- Volume
- 59
- Issue
- 10
- Pages
- 105501–105501
- Publication date
- 26 February 2026
- Language
- EN