Exploring the Electronic, Optical, and Charge Transfer Properties of A-D-A-Type IDTV-ThIC-Based Molecules To Enhance Photovoltaic Performance of Organic Solar Cells

ACS Omega, Год журнала: 2023, Номер 8(48), С. 45384 - 45404

Опубликована: Ноя. 22, 2023

Improving the charge mobility and optoelectronic properties of indacenodithiophene-based small molecule acceptors is a key challenge to improving overall efficiency. In this current research, seven newly designed molecules (DT1-DT7) comprising core are presented tune energy levels, enhance mobility, improve photovoltaic performance IDTV-ThIC via density functional theory. All were by end-capped modification substituting terminal with strong electron-withdrawing moieties. Among all examined structures, DT1 has proved itself superior in multiple aspects, including higher λmax chloroform (787 nm) gaseous phase (727 nm), narrow band gap (2.16 eV), electron affinity (3.31 least excitation (1.57 improved due low reorganization excited state lifetime (2.37 ns) when compared reference (IDTV-ThIC) other molecules. DT5 also showed remarkable improvement different parameters, such as lowest exciton binding (0.41 leading easier moveability. The open-circuit voltage DT4 makes them proficient exhibiting transfer phenomenon. enlightened outcomes these can pave new route develop efficient organic solar cell devices using molecules, especially DT1, DT4, DT5.

Язык: Английский

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End-Group Engineering of Nonfullerene Acceptors for High-Efficiency Organic Solar Cells

Accounts of Materials Research, Год журнала: 2023, Номер 4(11), С. 968 - 981

Опубликована: Окт. 26, 2023

ConspectusIn recent years, organic solar cells (OSCs) have made significant advancements due to a deeper understanding of molecular design and device technology. One area that has contributed these is the emergence nonfullerene small-molecule acceptors (SMAs) polymerized SMAs. The strategy state-of-the-art SMAs focuses on two aspects: electron-rich central core unit electron-deficient end groups. Different from manipulation cores, end-group engineering direct efficient means adjust physicochemical properties crystallization/aggregation behavior acceptors, leading enhanced photovoltaic performance. On basis our research advances, herein we focus topic aiming provide comprehensive optimization groups for high-performance acceptor materials.In this Account, first, systematically compare difference between thiophene-fused benzene-fused in synthetic routes energy levels. Unlike centrosymmetric benzene, axisymmetric different fusion modes, resulting their frontier orbital Second, offer wrought review with or thiophene derivatives-fused groups, emphasizing important role enhancing packing, improving exciton bonding energy, reducing loss OSCs. Additionally, reveal specific reason why group an α/β site β/γ significantly Third, summarize parameters conventional based monobromobenzene-fused fluorobromine (or chlorobromide) cosubstituted We demonstrate regioregular show great prospects realizing all-polymer by eliminating disorder backbone structure pure Furthermore, halogenation (fluorination chlorination) also effective method designing PSMAs large electron mobility induced intermolecular noncovalent interactions halogen···H, halogen···S, halogen···halogen. Finally, analyze asymmetric substitution developing In comparison symmetric SMAs, one achieves low while ensuring sufficient charge separation. As summary perspective, discuss current questions regarding propose insights into future development novel toward low-cost

Язык: Английский

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A machine learning prediction model for quantitative analyzing the influence of non-radiative voltage loss on non-fullerene organic solar cells

Chemical Engineering Journal, Год журнала: 2023, Номер 475, С. 145958 - 145958

Опубликована: Сен. 9, 2023

Язык: Английский

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Suppression of energy disorder by incorporating a small-molecule acceptor into binary all-polymer solar cells

Energy & Environmental Science, Год журнала: 2023, Номер 16(12), С. 5863 - 5870

Опубликована: Янв. 1, 2023

The energy disorder of binary all-PSCs based on PDBQ x -TCl and PY-IT is suppressed by adding a new small molecule (BTA3-4F), leading to an impressive power conversion efficiency 18.6%.

Язык: Английский

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High‐Performance Ternary Organic Solar Cells with Enhanced Luminescence Efficiency and Miscibility Enabled by Two Compatible Acceptors

Advanced Energy Materials, Год журнала: 2024, Номер 14(12)

Опубликована: Янв. 28, 2024

Abstract The ternary strategy has proven to be an effective method for improving the efficiency of organic solar cells (OSCs). However, designing and selecting third component still pose challenges. In this study, issue is addressed by focusing on PBDB‐T:Y18‐F binary system introducing a new, strong luminescent, asymmetric small‐molecule acceptor (SMA) called L8‐CBIC‐Cl, which shares similar skeleton with Y18‐F. similarity in molecular framework facilitates good compatibility between two acceptors, resulting formation alloy‐like phase. Furthermore, norbornenyl‐modified end group L8‐CBIC‐Cl contributes its luminescent properties, turn leads low non‐radiative energy loss high open‐circuit voltage. Consequently, PBDB‐T:L8‐CBIC‐Cl:Y18‐F based devices realize power conversion (PCE) up 17.01%, higher than device (14.49%). Importantly, exhibits universality as guest other three systems (D18:Y6, D18:BTP‐eC9‐4F, D18:L8‐BO). D18:L8‐BO:L8‐CBIC‐Cl shows impressive 19%. work demonstrates that employing SMA PLQY better miscibility host great potential developing high‐efficiency OSCs.

Язык: Английский

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The Asymmetric Strategy of Small‐Molecule Materials for Organic Solar Cells

Advanced Energy Materials, Год журнала: 2024, Номер 14(17)

Опубликована: Фев. 8, 2024

Abstract The conjugated small‐molecule materials of organic solar cells have always played a crucial role in light‐harvesting, charge transport, morphology optimization, and the attainment efficient devices. advancement novel understanding underlying molecular design rules serve as driving force for furthering stable photovoltaic Among variety principles, symmetry‐breaking strategy, which is well developed 3,9‐bis(2‐methylene‐(3‐(1,1‐dicyanomethylene)‐indanone))‐5,5,11,11‐tetrakis(4‐hexylphenyl)‐dithieno[2,3‐d:2′,3′‐d’]‐s‐indaceno[1,2‐b:5,6‐b’]dithiophene (ITIC)‐series acceptors, recently demonstrates great potential acceptors donors realizing high power conversion efficiency. In this review, order to give deep insight on asymmetric are systematically summarized with structure elucidate structure‐performance relationship, packing behaviors, evolution. Not only delicate balance between open circuit voltage short‐circuit current density, but also reductions recombination non‐radiative considered play key points improving performance when molecule used host or guest materials. Finally, concise challenges outlooks provided future development application molecules strategies.

Язык: Английский

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19% efficiency in organic solar cells of Benzo[1,2-b:4,5-b′]Difuran-based donor polymer realized by volatile + non-volatile dual-solid-additive strategy

Materials Science and Engineering R Reports, Год журнала: 2024, Номер 159, С. 100794 - 100794

Опубликована: Апрель 13, 2024

Язык: Английский

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A–D–A'–D–A type nonfused ring electron acceptors for efficient organic solar cells via synergistic molecular packing and orientation control

Aggregate, Год журнала: 2024, Номер 5(2)

Опубликована: Янв. 4, 2024

Abstract Nonfused ring electron acceptors (NFREAs) are promising candidates for future commercialization of organic solar cells (OSCs) due to their simple synthesis. Still, the power conversion efficiencies (PCEs) NFREA‐based OSCs have large room improvement. In this work, by merging end group halogenation and side chain engineering, we developed four A–D–A'–D–A type NFREAs, which refer as EH‐4F, C4‐4F, EH‐4Cl, C4‐4Cl. Single crystal X‐ray diffraction revealed that multiple intermolecular S···F interactions between cyclopentadithiophene 5,6‐difluoro‐3‐(dicyanomethylene)indanone could cause an unfavorable dimer formation, leading ineffective π–π stackings in EH‐4F whereas no such was found EH‐4Cl C4‐4Cl after replacing with 5,6‐dichloro‐3‐(dicyanomethylene)indanone. Moreover, although shorter n ‐butyl resulted a closer molecular packing C4‐4Cl, (2‐ethylhexyl substitution) proper crystallinity exhibited enhanced face‐on orientation thin film, is favorable vertical charge transport further reducing recombination. As result, PCE 13.0% obtained EH‐4Cl‐based OSC fill factor 0.70. This work highlights importance control toward high‐performance NFREAs.

Язык: Английский

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New breakthrough in dye removal: Ultrafast removal of high concentration MB with biochar-based organic photocatalysts under indoor light (30W/m2) drive

Journal of Cleaner Production, Год журнала: 2024, Номер 449, С. 141539 - 141539

Опубликована: Март 9, 2024

Язык: Английский

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C-Shape or S-Shape? The Molecular Geometry Control of Fused-Ring Nonfullerene Acceptors for Lower Energy Loss in Organic Solar Cells

ACS Energy Letters, Год журнала: 2024, Номер 9(4), С. 1786 - 1795

Опубликована: Март 28, 2024

To elucidate the pivotal influence of molecular geometry in fused-ring nonfullerene acceptors (FRNFAs) on material properties and device performance organic solar cells (OSCs), we designed synthesized two isomeric molecules C–F S–F, featuring C-shaped S-shaped geometries with acceptor–donor–acceptor conjugated framework. The alteration demonstrated negligible effects optical electrochemical properties. Significantly, single crystal X-ray crystallography analyses uncovered that exhibited a wave network packing, while S–F favored linear brick packing intermolecular end groups, different from previously reported three-dimensional (3D) stacking Y series FRNFAs. Despite absence 3D OSCs utilizing remarkable power conversion efficiency 17.0%, lower voltage loss compared to devices based S–F. This study further underscores essential role FRNFAs, providing valuable insights for future design high-performance OSCs.

Язык: Английский

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