Dynamic recombination of polaron pair with impurity in conjugated polymers

Wang, Y.D.; Zhang, X.G.; Meng, Yansong; Di, B.; Zhang, Y.L.

doi:10.1016/j.orgel.2017.06.067

Cited by 10 publications

(5 citation statements)

References 27 publications

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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%

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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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Section: Introductionmentioning

confidence: 69%

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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“…Типичными случаями являются ДНК [9,10,11,12,13] и сопряженные полимеры [14,15]. Различные случаи взаимодействия полярона с ловушкой рассмотрены численными методами в ряде работ [16,17,18,19,20]. В работе [21] рассматривается близкая по формулировке задача о взаимодействии полярона с локальными возбуждениями решетки.…”

Section: Introductionunclassified

Interaction of a Polaron with a Trap. Influence of Adiabaticity

Виноградов¹

2022

Math.Biol.Bioinf.

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A lattice model of the interaction of a polaron with a stationary trap is considered in this work. For estimation of an electron-phonon interaction we used the Su – Schrieffer – Heeger approximation, which is more typical for DNA. The trap is localized at a lattice site with energy U < 0. Depending on the depth of the trap, there are two mechanisms for the interaction of the polaron with the trap. For a shallow trap, the interaction is adiabatic, and the trap does not capture the wave function. For a deeper trap, the dynamics of the interaction of the charge with the trap is determined by the nonadiabaticity of the process with the participation of excited electronic states. In a narrow range of values of the trap depth –0.6 ≤ U ≤ –0.4, a polaron is completely captured by the trap, and a stationary polaron is formed on the trap. For deeper traps, for U < –0.6, the polaron is not captured by the trap, and the wave function either tunnels through the trap or is reflected from it. The phase of the wave function provides useful information about the mechanism of interaction between the polaron and the trap.

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“…Since then, tasks have become more complicated. As experimenters are increasingly associating charge transfer with polarons, the possibility of the existence of polarons on various complex structures is widely studied: conjugated polymers with defects [23,24], pentathienoacene crystals [25], DNA double strands [26], anisotropic C 60 -crystals [27], graphene nanoribbons [28,29], 2D crystalline layers of poly(3-hexylthiophene) [30], hexagonal lattice [31], oligoacene-like crystals [32], surface-doped layered semiconductor MoS 2 [33].…”

Section: Introductionmentioning

confidence: 99%

New aspects of polaron dynamics in electric field

Astakhova

Виноградов

2019

Eur. Phys. J. B

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The dynamics of a polaron in polyacetylene (PA) in an electric field is studied in detail. It is shown that the dependence of polaron velocity on the applied field is determined by the vibrational spectrum of PA. A polaron moving in an electric field with a supersonic velocity generates monochromatic oscillations of the optical branch of the PA vibrational spectrum. The polaron velocity is equal to the phase velocity of these oscillations. Parameters of a moving polaron and an excited mode are determined by the balance between the energy gained by the polaron in the electric field and the energy dissipated into the lattice. The Basco's algorithm [D.M. Basko, E.M. Conwell, Phys. Rev. Lett. 88, 056401 (2002)] developed earlier for the single-electron model is also applied for the model under consideration.

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Dynamic recombination of polaron pair with impurity in conjugated polymers

Cited by 10 publications

References 27 publications

Dynamic recombination of triplet exciton with trapped counterion in conjugated polymers

Dynamic recombination of triplet exciton with trapped counterion in conjugated polymers

Interaction of a Polaron with a Trap. Influence of Adiabaticity

New aspects of polaron dynamics in electric field

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