Efficient organic solar cells achieved by multi-deuterium substituted A-D-A-type small molecule acceptors

IF 4.2 3区工程技术 Q2 CHEMISTRY, APPLIED

Dyes and Pigments Pub Date : 2025-06-01 DOI:10.1016/j.dyepig.2025.112930

Tianyi Zhao , Shujuan Liu , Ruike Zhou , Xiaoyu Zhang , Zezhou Liang , Jiahao Liu , Wanting Yao , Biao Xiao , Weiping Wang , Zhiyuan Cong , Baofeng Zhao , Haimei Wu , Yuchen Zhou , Chao Gao

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引用次数: 0

Abstract

Due to the advantages offered by A-D-A and A-DA'D-A type small molecule acceptors (SMAs), the photovoltaic performance of organic solar cells (OSCs) has made tremendous progress, with power conversion efficiencies (PCEs) exceeding 20 % in many material systems. However, as non-radiative recombination energy losses (ΔE_nr) in OSCs result in a lower open circuit voltage (V_OC), it remains a challenge to further improve the PCE of OSCs. To address this issue, the typical A-D-A-type small molecular acceptor ITIC was used as the model molecule, and two multi-substituted ITIC derivatives, ITIC-d16 and ITIC-d18, having 16 and 18 deuterium atoms respectively, were synthesized. The aim was to improve the luminescence performance of the materials to reduce the ΔE_nr and improve the performance of OSCs. Compared to ITIC, the two deuterated SMAs showed unchanged absorption spectra and molecular energy levels. Blended with PBDB-T, the optimized ITIC-d16 device, demonstrated enhanced V_OC (0.909 V) and the highest electroluminescence quantum efficiency (EQE_EL) of 8.0 × 10⁻⁶, exhibiting the smallest ΔE_nr of 0.304 eV. This resulted in the best PCE of 10.62 %. In comparison, the ITIC-based device exhibited a V_OC of 0.902 V and a PCE of 10.16 %, accompanied by a slightly elevated ΔE_nr of 0.312 eV. However, due to the unsatisfactory generation of excitons, the ITIC-d18 device exhibited simultaneously decreased V_OC, short-circuit current (J_SC), and fill factor (FF), leading to the lowest PCE of 9.85 %. The results of our study suggest that side-chain multi-deuterium substituted SMAs may offer a promising strategy for reducing energy loss and enhancing the performance of OSCs.

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采用多氘取代a -d - a型小分子受体实现高效有机太阳能电池

由于A-D-A和A-DA'D-A型小分子受体（sma）的优势，有机太阳能电池（OSCs）的光伏性能取得了巨大的进步，在许多材料体系中功率转换效率（pce）超过20%。然而，由于OSCs中的非辐射复合能量损失（ΔEnr）导致了较低的开路电压（VOC），因此进一步提高OSCs的PCE仍然是一个挑战。为解决这一问题，以典型的a -d - a型小分子受体ITIC为模型分子，合成了两个多取代ITIC衍生物ITIC-d16和ITIC-d18，分别具有16和18个氘原子。目的是提高材料的发光性能，以降低ΔEnr，提高OSCs的性能。与ITIC相比，两种氘化sma的吸收光谱和分子能级没有变化。与PBDB-T混合后，优化后的tic -d16器件的VOC （0.909 V）增强，电致发光量子效率（EQEEL）最高，为8.0 × 10−6，最小的为ΔEnr，为0.304 eV。最佳PCE为10.62%。相比之下，基于itic的器件的VOC为0.902 V， PCE为10.16%，同时ΔEnr略有升高，为0.312 eV。然而，由于激子的产生不理想，tic -d18器件同时表现出VOC、短路电流（JSC）和填充因子（FF）的降低，导致PCE最低，为9.85%。我们的研究结果表明，侧链多氘取代sma可能为减少能量损失和提高osc性能提供了一种有前途的策略。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.