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Organic solar cells (OSCs) have witnessed significant advancements in recent years, largely propelled by innovations in material design and device engineering. Among the emerging materials, dimerized small-molecule acceptors (DSMAs) have garnered considerable attention due to their unique advantages. For instance, DSMAs can directly inherit the excellent optoelectronic properties of corresponding small-molecule monomers. Moreover, their relatively larger molecular weight can effectively suppress molecular diffusion in the active layer, thereby enhancing the stability of OSCs. Compared to polymer acceptors, DSMAs have a well-defined structure, which is free from batch-to-batch variability, greatly enhancing the reproducibility of devices. This review comprehensively summarizes recent progress in DSMAs for OSCs, with a focus on their two primary linkage configurations: conjugative and non-conjugative connections. Additionally, the impact of various connection positions (including core-unit, end-group, and side-chain connection sites) on molecular packing, optoelectronic properties, and device performance is systematically reviewed. The review highlights the critical role of DSMAs in addressing key challenges in OSCs, such as photodegradation and morphological instability, while balancing power conversion efficiency and long-term stability. By consolidating recent breakthroughs and identifying future research directions, this work aims to provide valuable insights into the rational design of DSMAs, paving the way for the development of high-performance and commercially viable OSCs.
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http://dx.doi.org/10.3390/molecules30071630 | DOI Listing |
Phys Chem Chem Phys
September 2025
School of Chemistry and Chemical Engineering, Key Laboratory of Theoretical Organic Chemistry and Function Molecule of Ministry of Education, Hunan University of Science and Technology, Xiangtan, 411201, P. R. China.
Additive assisted strategies play a crucial role in optimizing the morphology and improving the performance of organic solar cells (OSCs), yet the molecular-level mechanisms remain unclear. Here, we employ molecular dynamics (AIMD) and density functional theory (DFT) to elucidate the influence of typical additives of 1,8-diiodooctane (DIO) and 3,5-dichlorobromobenzene (DCBB) on molecular packing, electronic structures, and charge transport. It can be observed that both additives can enhance the stacking properties of the donor and acceptor materials, yet they have different effects on the local electrostatic environment.
View Article and Find Full Text PDFAdv Mater
September 2025
College of Smart Materials and Future Energy, and State Key Laboratory of Photovoltaic Science and Technology, Fudan University, Shanghai, 200438, China.
Nonfullerene acceptor-based organic solar cells have recently taken a milestone leap with power conversion efficiencies approaching 20%. A key to further boost the efficiencies up to the Shockley-Queisser limit rests upon attaining a delicate balance between exciton dissociation and charge transport. This perspective presents two seminal and reciprocal strategies developed by our group and others to reconcile the intricacy of charge carrier dynamics, spanning from intrinsic molecular structure design to extrinsic dopant exploitation.
View Article and Find Full Text PDFAdv Mater
September 2025
School of Chemical Engineering and Light Industry, Guangdong University of Technology, Guangzhou, 510006, China.
Perovskite materials have revolutionized optoelectronics by virtue of their tunable bandgaps, exceptional optoelectronic properties, and structural flexibility. Notably, the state-of-the-art performance of perovskite solar cells has reached 27%, making perovskite materials a promising candidate for next-generation photovoltaic technology. Although numerous reviews regarding perovskite materials have been published, the existing reviews generally focus on individual material systems (e.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
September 2025
College of Smart Materials and Future Energy, Fudan University, Songhu Road 2005, Shanghai, 200438, P.R. China.
Solar-driven photocatalytic oxygen reduction reaction using covalent organic frameworks (COFs) offers a promising approach for sustainable hydrogen peroxide (HO) production. Despite their advantages, the reported COFs-based photocatalysts suffer insufficient photocatalytic HO efficiency due to the mismatched electron-proton dynamics. Herein, we report three one-dimensional (1D) COF photocatalysts for efficient HO production via the hydrogen radical (H•) mediated concerted electron-proton transfer (CEPT) process.
View Article and Find Full Text PDFNat Commun
September 2025
School of Materials Science and Engineering, Nanyang Technological University, Singapore, Singapore.
The photovoltaic performance of CuZnSn(S,Se) is limited by open-circuit voltage losses (ΔV) in the radiative (ΔV) and non-radiative (ΔV) limits, due to sub-bandgap absorption and deep defects, respectively. Recently, several devices with power conversion efficiencies approaching 15% have been reported, prompting renewed interest in the possibility that the key performance-limiting factors have been addressed. In this work, we analyze the sources of ΔV in these devices and offer directions for future research.
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