Targeted treatment of the interface between electron transport layers (ETL) and perovskite layers is highly desirable for achieving passivating effects and suppressing carrier nonradiative recombination, leading to high performance and long-term stability in perovskite solar cells (PSCs). In this study, a series of non-fullerene acceptors (NFAs, Y-H, Y-F, and Y-Cl) are introduced to optimize the properties of the perovskite/ETL interface. This optimization involves passivating Pb defects, releasing stress, and modulating carrier dynamics through interactions with the perovskite. Remarkably, after modifying with NFAs, the absorption range of perovskite films into the near-infrared region is extended. As expected, Y-F, with the largest electrostatic potential, facilitates the strongest interaction between the perovskite and its functional groups. Consequently, champion power conversion efficiencies of 21.17%, 22.21%, 23.25%, and 22.31% are achieved for control, Y-H-, Y-F-, and Y-Cl-based FACsPbIBr (FACs) devices, respectively. This treatment also enhances the heat stability and air stability of the corresponding devices. Additionally, these modifier layers are applied to enhance the efficiency of Cs(FAMA)PbIBr (FAMA) devices. Notably, a champion PCE exceeding 24% is achieved in the Y-F-based FAMA device. Therefore, this study provides a facile and effective approach to target the interface, thereby improving the efficiency and stability of PSCs.
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http://dx.doi.org/10.1002/smll.202310742 | DOI Listing |
Spectrochim Acta A Mol Biomol Spectrosc
December 2024
School of Chemistry and Environmental Engineering, Changchun University of Science and Technology, Jilin Provincial Science and Technology Innovation Center of Optical Materials and Chemistry, Jilin Provincial International Joint Research Center of Photo-functional Materials and Chemistry, Changchun 130022, China; State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130021, China. Electronic address:
The power conversion efficiency (PCE) of ternary all-small-molecule organic solar cells (T-ASM-OSCs) differs significantly from that of the polymer systems (2 %), and the role of third component remains unclear. The electron donor of coumarin derivatives with simple structure and strong and broad light absorption has high PCE for T-ASM-OSCs composed of non-fullerene acceptors (Y6 and DBTBT-IC). Here, we calculated the electronic structure and interfacial properties of the binary C1-CN:Y6 and ternary C1-CN:Y6:DBTBT-IC systems using molecular dynamic (MD) simulations and density functional theory (DFT) to explore the role of the third component (DBTBT-IC).
View Article and Find Full Text PDFNanoscale
December 2024
Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Carrer dels Til·lers, Bellaterra, 08193, Spain.
The nanoscale chiral arrangement in a bicomponent organic material system comprising donor and acceptor small molecules is shown to depend on the thickness of a film that is responsive to chiral light in an optoelectronic device. In this bulk heterojunction, a previously unreported chiral bis(diketopyrrolopyrrole) derivative was combined with an achiral non-fullerene acceptor. The optical activity of the chiral compound is dramatically different in the pure material and the composite, showing how the electron acceptor influences the donor's arrangement compared with the pure molecule.
View Article and Find Full Text PDFMacromol Rapid Commun
December 2024
Department of Chemistry, Middle East Technical University, Ankara, 06800, Turkey.
Due to their tunable energy levels, ability for intense light absorption, stability and ease of purification, non-fullerene acceptors (NFAs) have significantly contributed to the progress of organic photovoltaics (OPVs). Herein, a series of newly designed and synthesized NFAs specifically tailored are presented for OPV applications. A new class of NFAs possessing carbazole, fluorene, silafluorene derivatives, and benzothiadiazoles are synthesized.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
November 2024
Beijing Advanced Innovation Center for Soft Matter Science and Engineering & State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing, 100029, P. R. China.
A novel isotropic fullerene-hybridized fused-ring electron acceptor, designated C-Y, has been synthesized via a mild [4+2] Diels-Alder cycloaddition reaction with fullerene C to enhance the performance of organic solar cells (OSCs). Comparative analysis shows that C-Y significantly outperforms the control acceptor Me-Y, with a notable increase in the relative dielectric constant from 2.79 to 3.
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