Exciton transport in amorphous polymers and the role of morphology and thermalisation
arXiv:2102.06533 · doi:10.1088/1367-2630/ac37c7
Abstract
Understanding the transport mechanism of electronic excitations in conjugated polymers is key to advancing organic optoelectronic applications, such as solar cells, OLEDs and flexible electronics. While crystalline polymers can be studied using solid-state techniques based on lattice periodicity, the characterisation of amorphous polymers is hindered by an intermediate regime of disorder and the associated lack of symmetries. To overcome these hurdles we use a reduced state quantum master equation approach based on the Merrifield exciton formalism. Using this model we study exciton transport in conjugated polymers and its dependence on morphology and temperature. Exciton dynamics consists of a thermalisation process, whose features depend on the relative strength of thermal energy, electronic couplings and disorder, resulting in remarkably different transport regimes. By applying this method to representative systems based on poly(p-phenylene vinylene) (PPV) we obtain insight into the role of temperature and disorder on localisation, charge separation, non-equilibrium dynamics, and experimental accessibility of thermal equilibrium states of excitons in amorphous polymers.
11 pages, 4 figures, 2 tables
References in corpus (11)
- Environment-Assisted Quantum Walks in Photosynthetic Energy Transfer
- Dephasing assisted transport: Quantum networks and biomolecules
- Environment-Assisted Quantum Transport
- Highly efficient energy excitation transfer in light-harvesting complexes: The fundamental role of noise-assisted transport
- Does coherence enhance transport in photosynthesis?
- Quantum thermodynamics of general quantum processes
- Bloch-Redfield equations for modeling light-harvesting complexes
- Coherent and incoherent dynamics in excitonic energy transfer: correlated fluctuations and off-resonance effects
- An introduction to operational quantum dynamics
- Delocalised kinetic Monte Carlo for simulating delocalisation-enhanced charge and exciton transport in disordered materials
- How Does the Symmetry of S1 Influence Exciton Transport in Conjugated Polymers?