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Exciton Energy Transfer in Conjugated Polymers via a Three-Level Donor-Acceptor Model

Abstract

We investigate intra-chain exciton energy transfer (EET) in a conjugated polymer using a reduced three-level donor-acceptor model that separates vertical excitations from vibrationally relaxed states. Population dynamics are obtained with the hierarchical equations of motion (HEOM), enabling a non-Markovian treatment of system-bath (S-B) interactions. Case studies on donor-acceptor (D-A) pairs with small and large energy gaps reveal competition among coherent hopping, vibrational relaxation, and Förster resonance energy transfer (FRET). Varying the hopping and the S-B relaxation rate highlights roles of exciton transfer, thermal relaxation, and dipole-mediated coupling. The results show that energy gap, hopping, and relaxation jointly control intrachain EET.

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BibTeX
@misc{yang2026exciton,
  title = {{Exciton Energy Transfer in Conjugated Polymers via a Three-Level Donor-Acceptor Model}},
  author = {Hyeonseok Yang},
  howpublished = {arXiv},
  year = {2026},
  month = oct,
  doi = {10.48550/arxiv.2610.12506},
  eprint = {2610.12506},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2610.12506},
}
RIS
TY  - UNPB
TI  - Exciton Energy Transfer in Conjugated Polymers via a Three-Level Donor-Acceptor Model
AU  - Hyeonseok Yang
PY  - 2026
DA  - 2026/10/06
PB  - arXiv
DO  - 10.48550/arxiv.2610.12506
UR  - https://arxiv.org/abs/2610.12506
AB  - We investigate intra-chain exciton energy transfer (EET) in a conjugated polymer using a reduced three-level donor-acceptor model that separates vertical excitations from vibrationally relaxed states. Population dynamics are obtained with the hierarchical equations of motion (HEOM), enabling a non-Markovian treatment of system-bath (S-B) interactions. Case studies on donor-acceptor (D-A) pairs with small and large energy gaps reveal competition among coherent hopping, vibrational relaxation, and Förster resonance energy transfer (FRET). Varying the hopping and the S-B relaxation rate highlights roles of exciton transfer, thermal relaxation, and dipole-mediated coupling. The results show that energy gap, hopping, and relaxation jointly control intrachain EET.
ER  -