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Ethynyl‐Linked Donor‐π‐Acceptor Boron Dipyrromethenes for Panchromatic Dye‐Sensitized Solar Cells
Author(s) -
Shi WenJing,
Kinoshita Takumi,
Ng Dennis K. P.
Publication year - 2017
Publication title -
asian journal of organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.846
H-Index - 44
eISSN - 2193-5815
pISSN - 2193-5807
DOI - 10.1002/ajoc.201700121
Subject(s) - dye sensitized solar cell , chemistry , bodipy , photochemistry , acceptor , homo/lumo , electron acceptor , density functional theory , molecular orbital , electrochemistry , panchromatic film , electrolyte , molecule , fluorescence , electrode , organic chemistry , computational chemistry , physics , quantum mechanics , condensed matter physics , image resolution , artificial intelligence , computer science
Abstract Two boron dipyrromethene (BODIPY) derivatives were prepared as functional materials for applications in dye‐sensitized solar cells (DSSCs). These compounds consist of a donor‐π‐acceptor skeleton in which an electron donor and an electron acceptor/anchoring group are introduced to the opposite C2 and C6 positions of a BODIPY core via an ethynyl linker (compounds DN1 and DN2 ). The molecular structure of one of the key intermediates (compound 8 ) was determined by x‐ray diffraction analysis. Both compounds exhibited panchromatic absorptions in the UV/Vis region. The results of electrochemical studies revealed that the HOMO and LUMO levels of these compounds were suitable for the construction of DSSCs consisting of a TiO 2 electrode and an electrolyte based on an I 3 − /I − redox couple. The optimized structures, frontier molecular orbitals, and absorption spectra of both sensitizers were calculated using density functional theory. A DSSC prepared using the benzothiadiazole‐containing analogue DN2 exhibited a photovoltaic conversion efficiency of 3.41 %.