| 1. |
- Cai, Zekai, et al.
(författare)
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Charge photogeneration dynamics in non-fullerene polymer solar cells with fluorinated and non-fluorinated acceptors
- 2024
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Ingår i: Journal of Chemical Physics. - 0021-9606. ; 160:7
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Tidskriftsartikel (refereegranskat)abstract
- In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV-vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.9 and ∼19.9 nm, respectively. For PM6-based blend films, we find that the fluorine substitution engineering on the IDIC acceptor material can increase the phase separate size of acceptor material in blend films, resulting in the reduction of dissociation efficiencies of acceptor excitons. In addition, we find that the charge recombination in PM6:IDIC-4F is dominated by bimolecular recombination, in comparison to geminate type carrier recombination in PM6:IDIC blend films. In addition, we find that thermal annealing treatment has a weak influence on carrier recombination but slightly reduces the exciton dissociation efficiency of acceptor in PM6:IDIC blend films, leading to a slightly reduced power conversion efficiency of PM6:IDIC solar cells. These results may shed light on the design of high-performance semiconductor molecules for application in solar cells.
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| 2. |
- Feng, Junyi, et al.
(författare)
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The Role of Energy Offsets on Charge Photogeneration Dynamics in Y-Series Molecules-Based Polymer Solar Cells
- 2023
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Ingår i: Solar RRL. - 2367-198X. ; 7:16
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Tidskriftsartikel (refereegranskat)abstract
- Recent research has revealed that low-energy offset polymer solar cells (PSCs) are capable of a power conversion efficiency of over 19%. However, it is unclear how energy offsets and the charge photogeneration process are correlated. Herein, the effect of energy offsets on charge photogeneration dynamics for Y-series molecules (Y5, Y6, Y10, and BTP-4F-12)-based PSCs with the variations of the lowest unoccupied molecular orbital energy offsets (ΔELUMO) of 0.11–0.42 eV and the highest occupied molecular orbital energy offsets (ΔEHOMO) of 0.08–0.23 eV utilizing steady-state and time-resolved spectroscopies is studied. The steady-state measurement shows that the probability of photoluminescence quenching via energy transfer for the donor exciton reduces with the increasing ΔELUMO. It is found that even in PM6:Y6 with the highest ΔELUMO, ≈18% of PM6 exciton dissociated via the path of “energy transfer first and then hole transfer,” manifesting the energy transfer also plays a vital role in the process of exciton dissociation. Furthermore, it is found that the PM6 exciton can efficiently dissociate under the ΔELUMO of 0.11 eV. After photoexcitation of the Y-series molecule acceptors, the exciton dissociation efficiency enhances with the increase of ΔEHOMO. Besides, the higher energy offsets, the lower charge recombination rate in the ultrafast timescale has been found from the transient absorption measurement. These findings reveal that energy offsets are important for charge photogeneration and recombination in an ultrafast timescale for Y-series molecule-based PSCs, which may shed light on the design of high-performance PSCs.
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| 3. |
- Su, Xiaojun, et al.
(författare)
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Understanding of photophysical processes in dio additive-treated ptb7:Pc71 bm solar cells
- 2021
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Ingår i: Crystals. - : MDPI AG. - 2073-4352. ; 11:9
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Tidskriftsartikel (refereegranskat)abstract
- 1,8-diiodooctane (DIO) additive is an important method for optimizing the morphology and device performance of polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7)-based polymer solar cells. However, the effect of DIO additive on charge photogeneration dynamics of PTB7-based polymer solar cells is still poorly understood. In this work, the effect of DIO additive on the carrier photogeneration dynamics, as well as device performance of PTB7: [6,6]-phenyl-C71-butyric acid methyl ester (PC71 BM) solar cells was studied. Bias-dependent photoluminescence (PL) experiments of a neat PTB7 device show that the exciton cannot be dissociated by the electric field in the device within the operating voltage range, but it can be effectively dissociated by the high electric field. PL and time-resolved PL studies show that DIO additive reduces the phase size of PTB7 in the blend film, resulting in an increased exciton dissociation efficiency. The carrier recombination processes were studied by transient absorption, which shows geminate carrier recombination was suppressed in the DIO-treated PTB7:PC71 BM device in ultrafast time scale. The increased exciton dissociation efficiency and suppressed carrier recombination in ultrafast time scale play an important role for DIO-treated PTB7:PC71 BM solar cells to attain a higher power conversion efficiency.
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| 4. |
- Wen, Guanzhao, et al.
(författare)
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Energy level offsets determine the interplay between charge and energy transfer in all-small-molecule organic solar cells
- 2023
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Ingår i: Chemical Engineering Journal. - 1385-8947. ; 475
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Tidskriftsartikel (refereegranskat)abstract
- All-small-molecule organic solar cells (ASM OSCs) hold great promise in OSCs owing to their defined structures, simple purification, and good reproducibility, but are challenging for further improved efficiency. The energy level strategy has been broadly applied to obtain a better performance; however, a comprehensive understanding of the effects of energy level offset on photoexcitation dynamics in ASM OSCs is rarely studied. Herein, for Y-series molecules (Y6, Y10, Y5, and BTP-4F-12) based ASM OSCs, the effect of energy level offset on charge photogeneration was investigated using steady-state and time-resolved spectroscopies. We found that both energy and charge transfer could occur in blend films. A method to quantitatively analyze the contribution of charge and energy transfer processes was developed. For BTR-Cl:Y6 with the highest LUMO level offset, ∼ 23% of photogenerated excitons in donor dissociated via “energy transfer and the subsequent charge transfer” pathway, suggesting that the energy transfer in blend films should also be considered. And for the hole transfer, the excitons in Y-series molecules can only be effectively dissociated when the HOMO energy level offset is higher than 0.11 eV. Besides, a higher energy level offset would also suppress carrier recombination in ultrafast timescale. These results may shed light on the design of ASM OSCs.
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| 5. |
- Wen, Guanzhao, et al.
(författare)
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Excited-state properties of Y-series small molecule semiconductors
- 2021
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Ingår i: Dyes and Pigments. - : Elsevier BV. - 0143-7208. ; 192
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Tidskriftsartikel (refereegranskat)abstract
- The emergence of the Y series small molecule semiconductors, Y6 and its derivatives, have significantly improved the performance of polymer solar cells (PSCs). However, the excited-state properties of these Y-series small molecule semiconductors which are highly important for designing high-performance PSCs, need to be illustrated. In this work, the excited-state properties and electronic structures of the Y-series small molecules (Y5, Y6, Y10, N3, Y6-BO-4F, and Y6-BO-4Cl) have been systematically studied by using steady-state and time-resolved spectroscopies and quantum chemical calculations. It is shown that the influence of alkyl chains at the nitrogen atom of the pyrrole ring is weak for the electron affinities, ionization potentials, electron and hole reorganization energies and singlet exciton lifetime of Y molecules. Meanwhile, these parameters are found to be varied with the types of electron-deficient termini. Moreover, we find that Y10 and Y5 have the shortest singlet exciton lifetime in solution and the longest singlet exciton lifetime in film (~1100 ps), suggesting the engineering of electron-deficient termini can significantly influence the excited-state lifetime in solution and film. Our work could provide a guideline for designing Y-series acceptor materials for high-performance polymer solar cells.
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| 6. |
- Wen, Guanzhao, et al.
(författare)
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Ground- And excited-state characteristics in photovoltaic polymer N2200
- 2021
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Ingår i: RSC Advances. - : Royal Society of Chemistry (RSC). - 2046-2069. ; 11:33, s. 20191-20199
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Tidskriftsartikel (refereegranskat)abstract
- As a classical polymer acceptor material, N2200 has received extensive attention and research in the field of polymer solar cells (PSCs). However, the intrinsic properties of ground- and excited-states in N2200, which are critical for the application of N2200 in PSCs, remain poorly understood. In this work, the ground- and excited-state properties of N2200 solution and film were studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory (TD-DFT) calculations. The transition mechanism of absorption peaks of N2200 was evaluated through the natural transition orbitals (NTOs) and hole-electron population analysis by TD-DFT. Time-resolved photoluminescence (TRPL) study shows that the lifetimes of singlet excitons in N2200 chlorobenzene solution and film are ∼90 ps and ∼60 ps, respectively. Considering the absolute quantum yield of N2200 film, we deduce that the intrinsic lifetime of singlet exciton can be as long as ∼20 ns. By comparing the TRPL and transient absorption (TA) kinetics, we find that the decay of singlet excitons in N2200 solution is dominated by a fast non-radiative decay process, and the component induced by intersystem crossing is less than 5%. Besides that, the annihilation radius, annihilation rate and diffusion length of singlet excitons in N2200 film were evaluated as 3.6 nm, 2.5 × 10−9cm3s−1and 4.5 nm, respectively. Our work provides comprehensive information on the excited states of N2200, which is helpful for the application of N2200 in all-PSCs.
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| 7. |
- Yao, Nannan, et al.
(författare)
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In Situ Study the Dynamics of Blade-Coated All-Polymer Bulk Heterojunction Formation and Impact on Photovoltaic Performance of Solar Cells
- 2023
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Ingår i: Solar RRL. - : John Wiley & Sons. - 2367-198X. ; , s. 1-8
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Tidskriftsartikel (refereegranskat)abstract
- All-polymer solar cells (all-PSCs) have achieved impressive progress by employing acceptors polymerized from well performing small-molecule non-fullerene acceptors. Herein, the device performance and morphology evolution in blade-coated all-PSCs based on PBDBT:PF5–Y5 blends prepared from two different solvents, chlorobenzene (CB), and ortho-xylene (o-XY) are studied. The absorption spectra in CB solution indicate more ordered conformation for PF5–Y5. The drying process of PBDBT:PF5–Y5 blends is monitored by in situ multifunctional spectroscopy and the final film morphology is characterized with ex situ techniques. Finer-mixed donor/acceptor nanostructures are obtained in CB-cast film than that in o-XY-cast ones, corresponding to more efficient charge generation in the solar cells. More importantly, the conformation of polymers in solution determines the overall film morphology and the device performance. The relatively more ordered structure in CB-cast films is beneficial for charge transport and reduced non-radiative energy loss. Therefore, to achieve high-performance all-PSCs with small energy loss, it is crucial to gain favorable aggregation in the initial stage in solution.
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| 8. |
- Zhao, Ningjiu, et al.
(författare)
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Photoinduced Polaron Formation in a Polymerized Electron-Acceptor Semiconductor
- 2022
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Ingår i: The Journal of Physical Chemistry Letters. - : AMER CHEMICAL SOC. - 1948-7185. ; 13:23, s. 5143-5150
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Tidskriftsartikel (refereegranskat)abstract
- Polymerized small molecular acceptor (PSMA) based all-polymer solar cells (all-PSC) have achieved power conversion efficiencies (PCE) over 16%, and the PSMA is considered to hold great promise for further improving the performance of all-PSC. Yet, in comparison with that of the polymer donor, the photophysics of a polymerized acceptor remains poorly understood. Herein, the excited state dynamics in a polymerized acceptor PZT810 was comprehensively investigated under various pump intensities and photon energies. The excess excitation energy was found to play a key role in excitons dissociation into free polarons for neat PSMA films, while free polarons cannot be generated from the polaron pairs in neat acceptor films. This work reveals an in-depth understanding of relaxation dynamics for PSMAs and that the underlying photophysical origin of PSMA can be mediated by excitation energies and intensities. These results would benefit the realization of the working mechanism for all-PSC and the designing of new PSMAs.
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| 9. |
- Zou, Xianshao, et al.
(författare)
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An Insight into the Excitation States of Small Molecular Semiconductor Y6
- 2020
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Ingår i: Molecules. - : MDPI AG. - 1420-3049. ; 25:18
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Tidskriftsartikel (refereegranskat)abstract
- Y6 is a new type of non-fullerene acceptor, which has led to power conversion efficiencies of single-junction polymer solar cells over 17% when combined with a careful choice of polymeric donors. However, the excited state characteristics of Y6, which is closely correlated with its opto-electronic applications, are not clear yet. In this work, we studied the excited state properties of the Y6 solution and Y6 film, by using steady-state and time-resolved spectroscopies as well as time-dependent density functional theory (TD-DFT) calculations. UV-Vis absorption and fluorescence simulation, natural transition orbitals (NTOs) and hole-electron distribution analysis of Y6 solution were performed for understanding the excitation properties of Y6 by using TD-DFT calculations. The lifetimes of the lowest singlet excited state in Y6 solution and film were estimated to be 0.98 and 0.8 ns, respectively. Combining the exciton lifetime and photoluminescence (PL) quantum yield, the intrinsic radiative decay lifetimes of Y6 in the solution and film were estimated, which were 1.3 and 10.5 ns for the Y6 solution and film, respectively. Long exciton lifetime (~0.8 ns) and intrinsic radiative decay lifetime (~10.5 ns) of Y6 film enable Y6 to be a good acceptor material for the application of polymer solar cells.
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