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Novel D-A-?-A-Type Organic Dyes Containing a Ladderlike Dithienocyclopentacarbazole Donor for Effective Dye-Sensitized Solar Cells.

ABSTRACT: A novel ladderlike fused-ring donor, dithienocyclopentacarbazole (DTCC) derivative, is used to design and synthesize three novel donor-acceptor-?-acceptor-type organic dyes (C1-C3) via facile direct arylation reactions, in which the DTCC derivative substituted by four p-octyloxyphenyl groups is served as the electron donor and the carboxylic acid group is used as the electron acceptor or anchoring group. To fine-tune the optical, electrochemical, and photovoltaic properties of the three dyes, various auxiliary acceptors, including benzo[2,1,3]thiadiazole (BT), 5,6-difluorobenzo[2,1,3]thiadiazole (DFBT), and pyridal[2,1,3]thiadiazole (PT), are incorporated into the dye backbones. The results indicate that all of the three dyes exhibit strong light-capturing ability in the visible region and obtain relatively high molar extinction coefficients (>31?000 M^-1 cm^-1) due to their strong charge transfer (CT) from donor to acceptor. Moreover, theoretical model calculations demonstrate fully separated highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels for the three dyes, which is helpful for efficient charge separation and electron injection. Using the three dyes as sensitizers, conventional dye-sensitized solar cells (DSSCs) based on liquid iodide/triiodide redox electrolytes are fabricated. Our results indicate that the BT-containing dye C1 affords the highest power conversion efficiency of up to 6.75%, much higher than that of the DFBT-containing dye C2 (5.40%) and the PT-containing dye C3 (1.85%). To our knowledge, this is the first example reported in the literature where the DTCC unit has been used to develop novel organic dyes for DSSC applications. Our work unambiguously demonstrates that the ladderlike DTCC derivatives are the superb electron-donating blocks for the development of high-performance organic dyes.

SUBMITTER: Zheng L

PROVIDER: S-EPMC6645438 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

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Novel D-A-π-A-Type Organic Dyes Containing a Ladderlike Dithienocyclopentacarbazole Donor for Effective Dye-Sensitized Solar Cells.

Zheng Liping L Cao Qunfang Q Wang Jinfeng J Chai Zhaofei Z Cai Guosheng G Ma Zhongyun Z Han Hongwei H Li Qianqian Q Li Zhen Z Chen Huajie H

ACS omega 20171020 10

A novel ladderlike fused-ring donor, dithienocyclopentacarbazole (DTCC) derivative, is used to design and synthesize three novel donor-acceptor-π-acceptor-type organic dyes (C1-C3) via facile direct arylation reactions, in which the DTCC derivative substituted by four <i>p</i>-octyloxyphenyl groups is served as the electron donor and the carboxylic acid group is used as the electron acceptor or anchoring group. To fine-tune the optical, electrochemical, and photovoltaic properties of the three d ...[more]

PMID: 31457287

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Project description:The fabrication of colorless and see-through dye-sensitized solar cells (DSCs) requires the photosensitizers to have little or no absorption in the visible light region of the solar spectrum. However, a trade-off between transparency and power conversion efficiency (PCE) has to be tackled, since most transparent DSCs are showing low PCE when compared to colorful and opaque DSCs. One strategy to increase PCE is applying two cosensitizers with selective conversion of the UV and NIR radiation, therefore, the non-visible part only is absorbed. In this study, we report synthesis of novel five UV-selective absorbers, based on diimide and Schiff bases incorporating carboxyl and pyridyl anchoring groups. A systematic computational investigation using density functional theory (DFT) and time-dependent DFT approaches was employed to evaluate their prospect of application in transparent DSCs. Experimental UV/Vis absorption spectra showed that all dyes exhibit an absorption band covering the mid/near-UV region of solar spectrum, with a bathochromic shift and a hyperchromic shifts for Py-1 dye. Computational results showed that the studied dyes satisfied the basic photophysical and energetics requirements of operating DSC as well as the stability and thermodynamical spontaneity of adsorption onto surface of TiO2. However, results revealed outperformance of the thienothiophene core-containing Py-1 UV-dye, owing to its advantageous structural attributes, improved conjugation, intense emission, large Stokes shift and maximum charge transferred to the anchor. Chemical compatibility of Py-1 dye was then theoretically investigated as a potential cosensitizer of a reference VG20-C2 NIR-dye. By the judicious selection of pyridyl anchor-based UV-absorber (Py-1) and carboxyl anchor-based NIR-absorber (VG20), the advantage of the optical complementarity and selectivity of different TiO2-adsorption-site (Lewis- and Bronsted-acidic) can be achieved. An improved overall PCE is estimated accordingly.

Dataset Information

Novel D-A-?-A-Type Organic Dyes Containing a Ladderlike Dithienocyclopentacarbazole Donor for Effective Dye-Sensitized Solar Cells.

Publications

Novel D-A-π-A-Type Organic Dyes Containing a Ladderlike Dithienocyclopentacarbazole Donor for Effective Dye-Sensitized Solar Cells.

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