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Acceptor-Type Singlet Fission Material Based on Strong Absorption Tetracyanothienoquinoid skeleton

CCS Chemistry 2024年第9期6卷 2142-2149页

作者： Senhao Wang Xiang-Yang Liu Mengfan Zhang Long Wang Ganglong Cui Hongbing Fu Jiannian Yao Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024 College of Chemistry and Material Science Sichuan Normal UniversityChengdu 610068 Key Laboratory of Theoretical and Computational Photochemistry Ministry of EducationCollege of ChemistryBeijing Normal UniversityBeijing 100875 Beijing Key Laboratory for Optical Materials and Photonic Devices Department of ChemistryCapital Normal UniversityBeijing 100048 Beijing National Laboratory for Molecules Science(BNLMS) Key Laboratory of PhotochemistryInstitute of ChemistryChinese Academy of SciencesBeijing 100190

The practical efficiency of singlet fission(SF)-based photovoltaic devices is still far from satisfactory due to the limited scope of SF materials suitable for device application and the scarcity of schemes available for triplet *** SF materials identi-fied to date are typically electron donors while acceptor-type SF materials remain largely ***,the combination of a conventional electron donor and SF-active electron acceptor could circumvent the competitive energy transfer channel and better play the unique advantages of the SF process,which might be an adequate alternative for practical *** this work,we presented a new acceptor-type SF material based on a tetracyanothienoquinoid *** a quinoid skeleton exhibited strong absorption,ultrafast SF process,and excellent *** transient spectroscopy and multireference calculations(XDWCASPT2),the SF dynamics were examined featuring the rapid generation and subsequent annihilation and/or partial dissociation of multiexciton ***,our results not only provide a robust acceptor-type SF material but also suggest an adequate donor–acceptor alternative for SF-based solar cells,which could pave the way for the practical application of such a potential process.

关键词： singlet fission acceptor quinoidal skeleton mutiexciton state multireference calculation transient spectroscopy

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