Electron correlation effects on polarons recombination in coupled polymer chains |
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| Affiliation: | 1. Department of Physics, Engineering Physics and Astronomy, Queen''s University, Kingston, Ontario K7L 3N6, Canada;2. School of Materials Science and Engineering, Tianjin University of Technology, Tianjin 300384, PR China;1. Key Laboratory of Luminescence and Optical Information, Beijing Jiaotong University, Ministry of Education, Beijing, 100044, China;2. Institute of Optoelectronics Technology, Beijing Jiaotong University, Beijing, 100044, China;1. State Key Laboratory of ASIC and System, School of Information Science and Technology, Fudan University, Shanghai 200433, China;2. Solid-State Electronics, The Ångström Laboratory, Uppsala University, Box 534, Uppsala SE-751 21, Sweden;1. Division of Materials Science, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798, Singapore;2. Zhejiang Institute of Modern Physics, Department of Physics, Zhejiang University, Hangzhou 310027, China;3. State Key Laboratory of Surface Physics and Department of Physics, Fudan University, Shanghai 200433, China |
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| Abstract: | The recombination dynamics of singlet and triplet oppositely charged polarons under the influence of electron–electron (e–e) interactions in coupled polymer chains are investigated using a multi-configurational time-dependent Hartree–Fock (MCTDHF) method. During recombination processes, singlet and triplet intrachain excitons are important products. By calculating the yields of the singlet and triplet intrachain excitons as a function of the on-site and long-range e–e interactions, it is found that the yields of the singlet and triplet intrachain excitons both decrease with increasing on-site e–e interactions. On the other hand, as the long-range e–e interactions increase, the yields of singlet intrachain excitons initially increase and then maintain a constant value, while the yields of the triplet intrachain excitons decrease. Our results show that the long-range e–e interaction is of fundamental importance and improves the luminescence efficiency in coupled polymer chains. Finally, the influence of the polymer chain length on the yields of singlet and triplet intrachain excitons is discussed. |
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| Keywords: | Conjugated polymers Electron–electron interactions Su–Schrieffer–Heeger + Pariser–Parr–Pople model Intrachain excitons |
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