| Project/Area Number |
18K05300
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 36020:Energy-related chemistry
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| Research Institution | Kyushu Institute of Technology |
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Principal Investigator |
PANDEY SHYAM S 九州工業大学, 大学院生命体工学研究科, 准教授 (60457455)
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| Project Period (FY) |
2018-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2020: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2019: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2018: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | Structural optimization / TD-DFT calculations / Squaraine dyes / Anchoring groups / Binding stability / DSSC / Structure optimization / Dye sensitizers / Anchoring group / Adsorption behaviour / Binding strength / Structure optimization, / Sensitizing NIR Dyes / Dye Stability / QC Calculations / Transient Photodynamics |
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| Outline of Final Research Achievements |
Combined theoretical and experimental approaches have been implemented for the design and development of novel NIR dyes bearing various functional groups aiming towards improved NIR photoconversion and stability. A new method for the prediction of theoretical energy band diagram based on MO calculation was developed, which shows excellent match with the experimental energy band diagram counterparts. Our results have indicated that anchoring groups like phosphonic acid and cyanoacrylic acid exhibited opposite trends in terms of electron injection and their binding strength on TiO2. Acrylic acid was found to be optimum anchoring group for both of the photon harvesting and binding stability. NIR dye with double anchoring groups (SQ-162) bearing both of the acrylic and phosphonic acids not only exhibited improved PCE but also about 550 times stronger binding on TiO2 as compared to the dye SQ-140 bearing only cyanoacrylic acid.
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| Academic Significance and Societal Importance of the Research Achievements |
色素増感太陽電池（DSSC）のさらなる性能向上には、新たな近赤外光吸収色素の開発が必要不可欠である。DSSCでは、色素には光吸収帯域だけでなく、TiO2との結合安定性および、TiO2への電子注入性（光子収集性）が重要となっている。本研究では理論的・実験的アプローチの両面から、新規色素の開発を行い、これら課題を解決することに成功しており、効率的な新規材料開発への貢献が期待される。また、商業化のための安定した高効率DSSCの開発は、低環境負荷・低コストな太陽光エネルギー収穫の実現につながる。
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