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Real-time monitoring polymerization degree of organic photovoltaic materials toward no batch-to-batch variations in device performance.

ABSTRACT: Polymerization degree plays a vital role in material properties. Previous methodologies of molecular weight control generally cannot suppress or alleviate batch-to-batch variations in device performance, especially in polymer solar cells. Herein, we develop an in-situ photoluminescence system in tandem with a set of analysis and processing procedures to track and estimate the polymerization degree of organic photovoltaic materials. To support the development of this protocol, we introduce polymer acceptor PYT constructed by near-infrared Y-series small molecule acceptors via Stille polymerization, and shed light on the correlations between molecular weight, spectral parameters, and device efficiencies that enable the design of the optical setup and confirm its feasibility. The universality is verified in PYT derivatives with stereoregularity and fluoro-substitution as well as benzo[1,2-b:4,5-b']dithiophene-based polymers. Overall, our result provides a tool to tailor suitable conjugated oligomers applied to polymer solar cells and other organic electronics for industrial scalability and desired cost reduction.

SUBMITTER: Xu LY

PROVIDER: S-EPMC10858892 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature

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Real-time monitoring polymerization degree of organic photovoltaic materials toward no batch-to-batch variations in device performance.

Xu Lin-Yong LY Wang Wei W Yang Xinrong X Wang Shanshan S Shao Yiming Y Chen Mingxia M Sun Rui R Min Jie J

Nature communications 20240210 1

Polymerization degree plays a vital role in material properties. Previous methodologies of molecular weight control generally cannot suppress or alleviate batch-to-batch variations in device performance, especially in polymer solar cells. Herein, we develop an in-situ photoluminescence system in tandem with a set of analysis and processing procedures to track and estimate the polymerization degree of organic photovoltaic materials. To support the development of this protocol, we introduce polyme ...[more]

PMID: 38341407

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Project description:To address the increasing demand of efficient photovoltaic compounds for modern hi-tech applications, efforts have been made herein to design and explore triazatruxene-based novel donor materials with greater efficiencies. Five new molecules, namely M1-M5, were designed by structural modification of acceptor moiety (rhodanine-3-acetic acid) of well known experimentally synthesized JY05 dye (reference R), and their optoelectronic properties are evaluated to be used as donor molecules in organic solar cells. In these molecules M1-M5, triazatruxene acts as a donor unit and benzene spaced different end-capped moieties including 2-(4-(dicyanomethylene)-2-thioxothiazolidin-3-yl)acetic acid (A1), (E)-2-(4-(1-cyano-2-methoxy-2-oxoethylidene)-2-thioxothiazolidin-3-yl)acetic acid (A2), (Z)-2-(3'-ethyl-4'-oxo-2,2'-dithioxo-3',4'-dihydro-2'H,5H-[4,5'-bithiazolylidene]-3(2H)-yl)acetic acid (A3), (Z)-2-(4'-(dicyano-methylene)-3'-ethyl-2,2'-dithioxo-3',4'-dihydro-2'H,5H-[4,5'-bithiazol-ylidene]-3(2H)-yl)acetic acid (A4) and 2-((4Z,4'E)-4'-(1-cyano-2-methoxy-2-oxoethylidene)-3'-ethyl-2,2'-dithioxo-3',4'-dihydro-2'H,5H-[4,5'-bithiazolylidene]-3(2H)-yl)acetic acid (A5) respectively, as acceptor units. The electronic, photophysical and photovoltaic properties of the designed molecules M1-M5 have been compared with reference molecule R. All designed molecules exhibit reduced energy gap in the region of 1.464-2.008 eV as compared to reference molecule (2.509 eV). Frontier molecular orbital (FMO) surfaces confirm the transfer of charge from donor to acceptor units. All designed molecules M1-M5 exhibited an absorption spectrum in the visible region and they were broader as compared to that of reference R. Especially, M5 with highest λ max value 649.26 nm and lowest transition energy value 1.90 eV was accredited to the strong electron withdrawing end-capped acceptor moiety A5. The highest value of open circuit voltage (V oc) 1.02 eV with respect to HOMOdonor-LUMOBTP-4Cl was shown by M5 among all investigated molecules which was 0.15 V larger than reference molecule R. The designed molecule M5 is proven to be the best candidate for both electron and hole transport mobilities due to its smallest λ e (0.0212 eV) and λ h (0.0062 eV) values among all studied molecules.

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Real-time monitoring polymerization degree of organic photovoltaic materials toward no batch-to-batch variations in device performance.

Publications

Real-time monitoring polymerization degree of organic photovoltaic materials toward no batch-to-batch variations in device performance.

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