Cyanobenzene‐Modified Quinoxaline‐Based Acceptors with Optimal Excitonic Behavior Enable Efficient Organic Solar Cells DOI

Xinya Ran,

Chi Zhang,

Dingding Qiu

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 22, 2025

Abstract Cyanogroup (‐CN) is a strongly electron‐withdrawing and highly polar functional group; therefore, cyanation has been extensively utilized to optimize the terminal groups of high‐performance small‐molecule acceptors (SMAs) in organic solar cells (OSCs). Herein, by regulating cyanobenzene substitution central core for first time, four novel SMAs are synthesized, named phCN‐F, phCN‐Cl, 2phCN‐F, 2phCN‐Cl. Theoretical experimental analyses have shown that asymmetric symmetric cyanobenzene‐substitution core, coupled with selective groups, can significantly affect intrinsic excitonic properties molecule. Blends based on molecules possess tighter molecular packing more suitable phase separation facilitate exciton dissociation, charge transport, extraction. The optimal device performance phCN‐F‐based OSC reaches 20.16%, which higher than symmetrically substituted OSCs. Furthermore, devices prepared phCN‐F maintain over 90% their initial efficiency after being heated at 85°C 3000 h, demonstrating excellent thermal stability. This study elucidates potential mechanisms optimizing through providing valuable insights further design record‐breaking SMAs.

Language: Английский

Low‐Volatility Fused‐Ring Solid Additive Engineering for Synergistically Elongating Exciton Lifetime and Mitigating Trap Density Toward Organic Solar Cells of 20.5% Efficiency DOI Open Access
Xin Song,

Busheng Zhang,

Xingting Liu

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 12, 2025

Abstract Volatile solid additives (VSAs) with single or fused‐ring structures have attracted much attention for enhancing power conversion efficiencies (PCEs) of organic solar cells (OSCs). While the working mechanisms high‐volatility single‐ring been well studied, influence low‐volatility VSAs on molecular aggregations and exciton/carrier dynamics remains still unclear. Herein, 3,6‐dibromothieno[3,2‐b]thiophene (3,6TTBr) is selected as a representative VSA to elucidate its mechanism. Via theoretical experimental joint investigation, it found that rigid planar 3,6TTBr molecules adsorb onto terminal units L8‐BO (acceptor), inducing loose space adjacent molecules. The thus favors center‐terminal packing larger interfragment distance, which relieves over‐aggregation induces ordered packing. Consequently, treatment reduces aggregation‐caused quenching, photoluminescence quantum yield exciton lifetime film. combination above properties reduced trap density improved carrier transport in 3,6TTBr‐treated devices contributed PCE 20.1%. To validate broad applicability findings, 1,5‐dibromonaphthalene (1,5‐BN), another solid, explored. 1,5‐BN achieved an impressive 20.5%, verifying validity strategy boosting OSC performances.

Language: Английский

Citations

3
Exploring structural basis of photovoltaic dye materials to tune power conversion efficiencies: a DFT and ML analysis of Violanthrone DOI
Sajjad Hussain Sumrra, Cihat Güleryüz,

Abrar U. Hassan

et al.

Materials Chemistry and Physics, Journal Year: 2024, Volume and Issue: unknown, P. 130196 - 130196

Published: Nov. 1, 2024

Language: Английский

Citations

10
Reconfigurable Neuromorphic Computing Using Methyl-Engineered One-Dimensional Covalent Organic Framework Memristors DOI
Pan‐Ke Zhou, Ziyue Yu, Tao Zeng

et al.

Nano Letters, Journal Year: 2025, Volume and Issue: unknown

Published: March 25, 2025

The rapid evolution of neuromorphic devices seeks to bridge biological neural networks and artificial systems, enabling energy-efficient scalable computing for next-generation intelligence. Herein, we introduce methyl-engineered one-dimensional covalent organic framework (1D COF)-based memristors as a transformative platform reconfigurable computing. incorporation methyl groups enhances localized polarization effects within the COF framework, effectively mitigating random Ag+ migration/diffusion stabilizing conductive filament morphology. This strategic modification yields with exceptional multilevel storage capabilities, exhibiting superior stability, linearity, reproducibility. Moreover, highly ordered architecture customizable chemical environment methyl-functionalized 1D allows precise control over resistive switching behaviors, facilitating emulation synaptic functions development network architectures. Demonstrating performance in tasks such high-accuracy image recognition, these showcase significant promise foundation energy-efficient, systems.

Language: Английский

Citations

1
Endgroup engineering of the third component for high-efficiency ternary organic solar cells DOI

Chanyin Cao,

Xueqing Ma,

Xinming Zheng

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: unknown, P. 156906 - 156906

Published: Oct. 1, 2024

Language: Английский

Citations

3
A Platinum Complex‐Based Dimerized Electron Acceptor for Efficient Organic Solar Cells DOI Open Access
Cheng Yang, Dongcheng Jiang, Chengyi Xiao

et al.

Advanced Energy Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 3, 2025

Abstract Metal–organic complexes have demonstrated excellent performance in organic light‐emitting diodes, yet their potential solar cells (OSCs) remains underexplored. In this study, a novel metal–organic complex, Pt‐Y, which features platinum core connected to Y‐acceptor arms, for application OSCs is designed and synthesized. The dimerized Pt‐Y acceptor prepared through straightforward reactions, with the key precursor linking metal Y‐acceptors synthesized Sonogashira coupling. Steady‐state transient photoluminescence measurements revealed that exhibits distinct singlet triplet states microsecond lifetimes—significantly longer than nanosecond lifetimes of without metal. Incorporating as third component ternary has resulted remarkable efficiency 19.2%. Further morphological analysis absorption indicate displays miscibility Y‐acceptor, leading minimal phase separation formation fibrillar structures. These structures enhance charge transport while reducing recombination. This work presents facile approach developing exceptional photovoltaic OSCs.

Language: Английский

Citations

0
Optimization of Film Morphology and Photovoltaic Performance by Employing Asymmetric π-Bridges in Dithienobenzodithiophene-Based Polymer Donors DOI
Guan Sheng,

Junhong Liang,

C. G. Zhuang

et al.

ACS Applied Materials & Interfaces, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 7, 2025

Understanding the impact of molecular structure on packing arrangement and aggregation behaviors organic semiconductor materials is crucial for investigating their properties in multiple photoelectrical applications. In this study, a high-performance polymer donor based dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene (DTBDT) 5,6-difluorobenzo[c][1,2,5]thiadiazole (FBT) unit, named PDTBDT-Cl-TFBT, was designed synthesized by introducing an asymmetric 3-octylthiophene π-bridge between acceptor segment. The density functional theory (DFT) calculation reveals that increases average dipole moment repeating units as well configurational disorder resulting overall diminished self-aggregation crystallinity, which leads to higher miscibility with nonfullerene Y6 than symmetric π-bridge-modified PDTBDT-Cl-DTFBT. This feature suitable phase separation PDTBDT-Cl-TFBT:Y6 blend contributes better photovoltaic performance. As result, solar cells (OSCs) achieve notably power conversion efficiency (PCE) 14.13%, surpassing performance PDTBDT-Cl-DTFBT:Y6 (9.63%). Detailed analyses indicate enhancement primarily attributed reduced trap density, mitigated energetic disorder, improved charge transport, suppressed recombination. research uncovers effective strategy optimizing film morphology DTBDT-based donors.

Language: Английский

Citations

0
Theoretical Design of L8-Core-Based Molecules by Stepwise Molecular Engineering of Non-Fullerene Acceptors DOI

WU Qing,

Zixu Huang, Aokui Sun

et al.

ACS Applied Optical Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 1, 2025

Language: Английский

Citations

0
Isomeric Alkylthiophene Side-Chain Engineering of a Small-Molecule Acceptor for Efficient Organic Solar Cells DOI

Hongyu Fan,

Xinyu Jiang,

Ge Yu

et al.

ACS Applied Energy Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 10, 2025

Language: Английский

Citations

0
Enhancing Room‐Temperature Spin Lifetimes in Molecular Semiconductors by Designing Intramolecular Dipole Orientations DOI
Yang Qin, Meng Wu,

Junjun Xiang

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 25, 2025

Abstract In spintronics, achieving long spin lifetimes, particularly at room temperature (RT), is a key objective for transport materials. Molecular semiconductors (MSCs), with their inherently weak relaxation mechanisms, have emerged as promising candidates realizing RT lifetimes. However, effective strategies to suppress through the design of molecular structures in MSCs are still not well understood, and result, lifetimes remain limited (≈ 10‐µs level RT). this study, impact intramolecular dipole orientations on has been explored first time. Both theoretical experimental results demonstrated that orientation influences hyperfine interaction (HFI) effect (a main causation relaxation), thus, lifetime. By adjusting arrangements design, it poly(2,6‐azuleneethynylene) regular served reduce HFI strength ultimately extended lifetime 106 µs spintronic device, much higher than random arrangement, setting new record. This work provides insights into mechanism offers valuable strategy extending future applications.

Language: Английский

Citations

0
O, S, and N Bridged Atoms Screening on 2D Conjugated Central Units of High‐Performance Acceptors DOI

Xiangjian Cao,

Zheng Xu, Ruohan Wang

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: May 6, 2025

Abstract Almost all of central cores in high‐performance acceptors are limited to the electron‐withdrawing diimide structure currently, which constrains further acceptor structural innovation greatly. Herein, oxygen (O), sulfur (S), and nitrogen (N) atoms adopted bridge 2D conjugated cores, yielding three platforms CH─O, CH─S, CH─N that differ by only two atoms. Because characteristic atomic outer electron configuration hybrid orbital orientation, O‐, S‐, N‐bridged display quite different conformations electronic properties, namely, dibenzodioxin (planar, non‐aromatic), thianthrene (puckered, non‐aromatic) phenazine aromatic), respectively. A systematic investigation discloses how core, especially its p‐π overlap between lone pair on O/S/N coterminous benzene planes, affect intrinsic photoelectronic properties for first time. Finally, CH─N‐based binary device affords highest fill factor 83.13% organic photovoltaics along with a first‐class efficiency 20.23%. By evaluating strictly controlled molecular comprehensively, work reveals potential uniqueness determining excellent photovoltaic outcomes acceptors.

Language: Английский

Citations

0