Annealing-free efficient organic solar cells <i>via</i> an alkylbenzene side-chain strategy of small-molecule electron acceptors

Han, Yifei; Song, Wei; Zhang, Jinsheng; Xie, Lin; Xiao, Jingbo; Li, Yanbo; Cao, Liang; Song, Shuqun; Zhou, Erjun; Ge, Ziyi

doi:10.1039/d0ta05787h

Cited by 20 publications

(15 citation statements)

References 56 publications

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“…The structural versatility of organic building blocks allows the design of countless organic materials. [53][54][55][56][57][58] It is not possible to explore this large chemical space. Therefore, it is essential to dene the chemical space that needs to be explored.…”

Section: Designing New Compoundsmentioning

confidence: 99%

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency

2022

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Section: Designing New Compoundsmentioning

confidence: 99%

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency

2022

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“…Regarding the chemical structure tailoring, it has been well recognized that the subtle structural modification of NFAs can bring dramatic changes toward light absorption, energy levels, and molecular aggregation to impact device performance. − The modification of NFA chemical structure can be executed through side chains, − backbones, − and end groups. − For example, by grafting branched alkyl chains on the pyrrole motif of the Y6 NFA molecule to receive N3, Yan et al reported the enhancement of PCE from 15.2 to 15.98% for a single-junction PM6:NFA binary OSC . By shortening the n -undecyl (C11) to n -nonyl (C9) alkyl chain at the edge of the central donating core to receive BTP-eC9, Hou et al reported enhanced PCE from 16.9 to 17.8% .…”

Section: Introductionmentioning

confidence: 99%

Alkyl Chain Tuning of Non-fullerene Electron Acceptors toward 18.2% Efficiency Binary Organic Solar Cells

et al. 2021

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Tailoring of the chemical structure is an effective method to tune the aggregation and optoelectronic properties of organic photovoltaic materials to boost the performance of organic solar cells (OSCs). Here, four non-fullerene electron acceptor materials, namely, BTP-4F-C8-16, BTP-4F-C7-16, BTP-4F-C6-16, and BTP-4F-C5-16, with different lengths of alkyl chain on the bithiophene units were synthesized, and the impact of chain length on the intermolecular stacking, nanoscale phase separation with polymer donors, optoelectronic properties, and device performance were investigated. Molecular dynamics simulations and experimental exploration show that reducing the chain length from n-octyl (C8) to n-pentyl (C5) can enhance the molecular planarity, shorten the π−π stacking distance, and improve the electron mobility, consequently leading to enhanced structural order, charge mobility, and appropriate phase separation in the blend with PM6, contributing to the achievement of the best power conversion efficiency of 18.20% with a V OC of 0.844 V, a fill factor of 77.68%, and a J SC of 27.78 mA cm −2 , which is one of the highest efficiencies of single-junction binary OSCs reported in the literature so far.

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“…This result suggests that the PBTPBD‐50 has superior miscibility with IT‐4F when processed with o ‐xylene. [ 37–40 ] In contrast, the thermally annealed PM6:IT‐4F blended film showed strong aggregation with a R q roughness of 3.32 nm, which are unfavorable for charge transport and collection. The unfavorable morphological change in the thermally annealed PM6:IT‐4F blended film accounts for the poor long‐term thermal stability of the PM6‐based PSC.…”

Section: Resultsmentioning

confidence: 99%

Unprecedented Long‐Term Thermal Stability of 1D/2A Terpolymer‐Based Polymer Solar Cells Processed with Nonhalogenated Solvent

Jung

Kim

et al. 2021

Solar RRL

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Donor–acceptor (D–A) copolymer‐based polymer solar cells (PSCs) processed with nonhalogenated solvents exhibit relatively low power conversion efficiencies (PCE) due to undesirable morphological properties, including high aggregation and unfavorable orientation. Moreover, they show very poor long‐term stability owing to excessive molecular aggregation and unfavorable phase separation. Thus, novel p‐type polymers are required for high‐efficiency and long‐lived PSCs that can be processed in ecofriendly nonhalogenated solvents. Herein, a novel series of 1D/2A terpolymers (PBTPBD) composed of 4,8‐bis(5‐(2‐ethylhexyl)‐4‐fluorothiophen‐2‐yl)benzo[1,2‐b:4,5‐b′]dithiophene (BDT‐F), 1,3‐bis(thiophen‐2‐yl)‐5,7‐bis(2‐ethylhexyl)benzo‐[1,2‐c:4,5‐c′]dithiophene‐4,8‐dione (BDD), and 1,3‐bis‐(4‐hexylthiophen‐2‐yl)‐5‐octyl‐4H‐thieno[3,4‐c]pyrrole‐4,6(5H)‐dione (HT‐TPD) is synthesized and characterized for high‐efficiency and long‐lived PSCs. A PBTPBD‐50:IT‐4F blended film exhibits a favorable face‐on orientation and superior hole and electron mobility. Therefore, the corresponding PBTPBD‐50:IT‐4F PSC, processed with a nonhalogenated solvent, exhibits a high PCE of 13.64%, which is 13% higher than that of the related nonhalogenated solvent‐processed PSCs. Furthermore, the PBTPBD‐50:IT‐4F PSC maintains 82% of the initial PCE even after 204 days at 85 °C, which is the highest thermal stability achieved among PSCs processed with nonhalogenated solvents. The high‐efficiency and superior long‐term thermal stability of the PBTPBD‐50:IT‐4F PSC are attributed to the excellent miscibility of PBTPBD‐50 and IT‐4F and the suppression of the morphological changes in the photoactive layer.

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Annealing-free efficient organic solar cells via an alkylbenzene side-chain strategy of small-molecule electron acceptors

Abstract: Research on alkylbenzene side-chain engineering of acceptors, which can affect the crystallinity of molecule and packing orientations of the blend films, has deeply promoted the development of organic solar cells...

Cited by 20 publications

References 56 publications

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency

Machine learning and molecular dynamics simulation-assisted evolutionary design and discovery pipeline to screen efficient small molecule acceptors for PTB7-Th-based organic solar cells with over 15% efficiency

Alkyl Chain Tuning of Non-fullerene Electron Acceptors toward 18.2% Efficiency Binary Organic Solar Cells

Unprecedented Long‐Term Thermal Stability of 1D/2A Terpolymer‐Based Polymer Solar Cells Processed with Nonhalogenated Solvent

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