New D-(π)n-A configured metal-free organic dyes as active photosensitizers for enhanced power conversion efficiency

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments Pub Date : 2025-07-18 DOI:10.1016/j.dyepig.2025.113049

Krupa Elsa Roys , Manju S L , Mohamed Siddiq , Anandan Sambandam

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引用次数: 0

Abstract

Novel D-(π)_n-A configured metal-free photosensitizers were developed and applied in dye-sensitized solar cells (DSSC). The innovative D-(π)_n-A sensitizers comprise a donor carbazole moiety and an acceptor unit cyanoacetic acid connected through linker fragments, including thiophene and benzene moieties. The molecular structural arrangement of dyes was verified and investigated by FT-IR, ¹H NMR, ¹³C NMR, and HR-MS techniques. The optical and electrochemical aspects were assessed, and theoretical calculations were carried out using density functional theory (DFT) and time-dependent DFT (TD-DFT). The photovoltaic endurance of DSSCs constructed with D-(π)_n-A carbazole-based sensitizers and N719 dye was observed. DSSCs were subjected to electrochemical impedance analysis (EIS) to determine the interfacial charge transfer resistance. The CB-T-CN photosensitizer-based DSSC attained an optimal fill factor (FF) of 0.48, leading to the most prevalent open-circuit potential (V_OC) of 663 mV and the finest power conversion efficiency (η) of 5.38 % along with short-circuit current density (J_SC) of 16.9 mA cm⁻² compare to CB-TT-CN sensitizer (V_OC = 606 mV, J_SC = 21.5 mA cm⁻², FF = 0.37, η = 4.82 %).

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新型D-(π)n-A结构无金属有机染料作为活性光敏剂提高功率转换效率

研制了新型的D-(π)n-A构型无金属光敏剂，并将其应用于染料敏化太阳能电池（DSSC）中。创新的D-(π)n-A增敏剂包括供体咔唑部分和通过连接体片段连接的受体单位氰乙酸，包括噻吩和苯部分。通过FT-IR、1H NMR、13C NMR和HR-MS等技术对染料的分子结构进行了验证和研究。对光学和电化学方面进行了评估，并使用密度泛函理论（DFT）和时变DFT （TD-DFT）进行了理论计算。观察了以D-(π)n-A卡唑类敏化剂和N719染料构建的DSSCs的光伏续航能力。采用电化学阻抗分析（EIS）测定了DSSCs的界面电荷转移电阻。与CB-TT-CN光敏剂（VOC = 606 mV, JSC = 21.5 mA cm - 2, FF = 0.37, η = 4.82%）相比，CB-T-CN光敏剂的DSSC的最佳填充因子（FF）为0.48，最大开路电位（VOC）为663 mV，最佳功率转换效率（η）为5.38%，短路电流密度（JSC）为16.9 mA cm - 2。

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来源期刊

Dyes and Pigments 工程技术-材料科学：纺织

CiteScore

8.20

自引率

13.30%

发文量

933

审稿时长

33 days

期刊介绍： Dyes and Pigments covers the scientific and technical aspects of the chemistry and physics of dyes, pigments and their intermediates. Emphasis is placed on the properties of the colouring matters themselves rather than on their applications or the system in which they may be applied. Thus the journal accepts research and review papers on the synthesis of dyes, pigments and intermediates, their physical or chemical properties, e.g. spectroscopic, surface, solution or solid state characteristics, the physical aspects of their preparation, e.g. precipitation, nucleation and growth, crystal formation, liquid crystalline characteristics, their photochemical, ecological or biological properties and the relationship between colour and chemical constitution. However, papers are considered which deal with the more fundamental aspects of colourant application and of the interactions of colourants with substrates or media. The journal will interest a wide variety of workers in a range of disciplines whose work involves dyes, pigments and their intermediates, and provides a platform for investigators with common interests but diverse fields of activity such as cosmetics, reprographics, dye and pigment synthesis, medical research, polymers, etc.