The dynamic formation of trions in conjugated polymers

Wang, Y.D.; Di, B.; Meng, Yansong; Liu, X.J.

doi:10.1016/j.orgel.2012.03.023

Cited by 10 publications

(9 citation statements)

References 30 publications

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“…Thus far, our theoretical approach is limited to transitions from bipolarons to higher-energy bipolaronstransitions among the states represented by eq , which are responsible for mid-IR absorption. However, by expanding the multiparticle basis set to include states with two holes and an electronthe so-called trions − we can address the nature of the near-IR peaks, referred to as P 2 and P 3 peaks. A trion can be very approximately understood as an exciton on an oxidized chain, as the exciton itself consists of an electron and a hole and the oxidized chain already contains a hole.…”

Section: Discussion/conclusionmentioning

confidence: 99%

Understanding Bipolarons in Conjugated Polymers Using a Multiparticle Holstein Approach

2021

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A Holstein-based model for mid-IR polaron absorption in π-conjugated polymers with nondegenerate ground states is expanded to include singlet bipolarons. In addition to hole hopping, the model includes electron−vibration coupling involving the prominent aromatic-quinoidal mode, as well as Coulombic interactions between (hole) polarons and between polarons and dopant anions. Compared to single polarons, the mid-IR band for bipolarons is red-shifted by up to 0.2 eV depending on the level of disorder. The red shift reflects the enhanced hole delocalization in the bound bipolaron complex and is in good agreement with recent measurements on electrochemically doped P3HT.

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Section: Discussion/conclusionmentioning

confidence: 99%

Understanding Bipolarons in Conjugated Polymers Using a Multiparticle Holstein Approach

2021

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“…Recently, Qiu drew similar conclusions via experiments involving two positive polarons captured by an electrochemically generated negative OH − by employing an organic thinfilm transistor based on conjugated polymer and carbon nanotubes [19]. Our previous works provided theoretical evidence for the trion formation channel mentioned above [20,21]. From these works, we can learn that the impurity can not only influence but also participate in the formation of composite particles.…”

Section: Introductionmentioning

confidence: 69%

“…These results are consistent with previous studies [11][12][13], that is, the triplet exciton plays an important role in the EL process in PLEDs. In theory, counterions have great probabilities of combining with polarons [20], bipolarons [21] and excitons to produce luminescent particles in high yields. Therefore, ion doping can be expected to be an effective means to improve the EL efficiency.…”

Section: Resultsmentioning

confidence: 99%

Dynamic recombination of triplet exciton with trapped counterion in conjugated polymers

Wang

Liu

et al. 2020

Eur. Phys. J. B

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The dynamic recombination of an on-chain triplet exciton with an off-chain counterion trapped in an impurity molecule has been investigated using a molecular dynamics method. It has been found that luminous composite states including the trion and the singlet exciton are the main products in the triplet exciton-counterion reaction and their yields depend sensitively on the impurity potential and the coupling between the polymer chain and the impurity molecule. We demonstrate that the triplet exciton-counterion reaction can enhance the electroluminescence efficiency considerably, and that the triplet exciton plays an important role in the photoelectric process of polymer. Our results provide a new clue to understand the electroluminescence mechanism in the polymer light-emitting devices.

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“…Our results showed that the yield of a trion is 12% via the polaron pair-counterion direct recombination while that of a bipolaron is 30%. That is to say, the same charged polaron pair is more likely to fuse into a bipolaron firstly and then the formed bipolaron will be captured by a counterion to create a trion via a secondary recombination [19]. Obviously, our conclusion cannot confirm the effectiveness of the trion formation model proposed by Kadashchuk et al Since it is so, carrying out further investigations is necessary to reveal the authentic details of the trion formation.…”

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confidence: 65%

Effects of electron-electron interactions on the dynamic recombination of on-chain polaron pair and off-chain counterion in conjugated polymers

Wang

Liu

Wang

et al. 2018

EPL

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Combining the one-dimensional Su-Schrieffer-Heeger model and the extended Hubbard model, we investigate the dynamic recombination of an on-chain same charged polaron pair with an off-chain counterion trapped in an impurity molecule. We demonstrate that the bipolaron, the exciton and the trion are the main products in the polaron pair-counterion reaction and their yields depend sensitively on the electron-electron interactions. In general, the on-site Coulomb interactions favor the creation of the exciton while the nearest-neighbor interactions favor the creation of the bipolaron. However, the trion can also be formed directly with high yield via the polaron pair-counterion recombination by taking appropriate electron-electron interactions, which indicates that the trion formation model proposed by Kadashchuk et al. is a feasible and effective channel. Furthermore, we found that the yield of trion is proportional to the amount of charge trapped in the impurity injected into the main chain. Our findings show that the electronelectron interactions play a key role in the dynamic recombination of elementary excitations in a conjugated polymer.

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The dynamic formation of trions in conjugated polymers

Cited by 10 publications

References 30 publications

Understanding Bipolarons in Conjugated Polymers Using a Multiparticle Holstein Approach

Understanding Bipolarons in Conjugated Polymers Using a Multiparticle Holstein Approach

Dynamic recombination of triplet exciton with trapped counterion in conjugated polymers

Effects of electron-electron interactions on the dynamic recombination of on-chain polaron pair and off-chain counterion in conjugated polymers

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