Root-Cause Analyses for 3D Intermolecular Packing Network Formation in Central Unit Extended Small Molecular Acceptors

IF 10.7 2区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materials Chemistry A Pub Date : 2024-11-15 DOI:10.1039/d4ta07485h

Jiaxin Guo, Xiangjian Cao, Zheng Xu, Tengfei He, Xingqi Bi, Zhaoyang Yao, Yaxiao Guo, Guankui Long, Chenxi Li, Xiangjian Wan, Yongsheng Chen

{"title":"Root-Cause Analyses for 3D Intermolecular Packing Network Formation in Central Unit Extended Small Molecular Acceptors","authors":"Jiaxin Guo, Xiangjian Cao, Zheng Xu, Tengfei He, Xingqi Bi, Zhaoyang Yao, Yaxiao Guo, Guankui Long, Chenxi Li, Xiangjian Wan, Yongsheng Chen","doi":"10.1039/d4ta07485h","DOIUrl":null,"url":null,"abstract":"The enhanced three-dimensional (3D) intermolecular packing network in central unit extended small molecular acceptors (SMAs) has boosted the performance of organic solar cells (OSCs) significantly by improving the inner exciton/charge photodynamic. However, the structural profiles that determine the formation of efficient 3D packing network are still shrouded in mystery. Herein, a series of SMAs (CH1, CH2, CH3, CH20 and CH8F) with/without central conjugation extension and substitutions are systematically investigated at both single-molecule and aggregate levels. Notably, by examining the evolution of packing networks and modes from CH1 to CH8F, the determining role of central unit extension and halogenation in constructing an enhanced 3D intermolecular packing network is revealed for the first time. Additionally, binary OSCs of CH8F, which combine central extension with fluorination achieve a first-class power conversion efficiency (PCE) of 19.02%, markedly outperforming its counterparts. These root-cause analyses unveil the essential structural elements for forming superior 3D packing networks and will further boost rational design of SMAs.","PeriodicalId":82,"journal":{"name":"Journal of Materials Chemistry A","volume":"21 1","pages":""},"PeriodicalIF":10.7000,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Materials Chemistry A","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1039/d4ta07485h","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

The enhanced three-dimensional (3D) intermolecular packing network in central unit extended small molecular acceptors (SMAs) has boosted the performance of organic solar cells (OSCs) significantly by improving the inner exciton/charge photodynamic. However, the structural profiles that determine the formation of efficient 3D packing network are still shrouded in mystery. Herein, a series of SMAs (CH1, CH2, CH3, CH20 and CH8F) with/without central conjugation extension and substitutions are systematically investigated at both single-molecule and aggregate levels. Notably, by examining the evolution of packing networks and modes from CH1 to CH8F, the determining role of central unit extension and halogenation in constructing an enhanced 3D intermolecular packing network is revealed for the first time. Additionally, binary OSCs of CH8F, which combine central extension with fluorination achieve a first-class power conversion efficiency (PCE) of 19.02%, markedly outperforming its counterparts. These root-cause analyses unveil the essential structural elements for forming superior 3D packing networks and will further boost rational design of SMAs.

查看原文本刊更多论文

中心单元扩展小分子受体分子间三维堆积网络形成的根源分析

中心单元扩展小分子受体（SMAs）中增强的三维（3D）分子间堆积网络通过改善内部激子/电荷光动力，显著提高了有机太阳能电池（OSCs）的性能。然而，决定高效三维堆积网络形成的结构特征仍然是个谜。本文在单分子和聚合体水平上系统地研究了一系列具有/不具有中心共轭延伸和取代的 SMA（CH1、CH2、CH3、CH20 和 CH8F）。值得注意的是，通过研究从 CH1 到 CH8F 的填料网络和模式的演变，首次揭示了中心单元延伸和卤化在构建增强型三维分子间填料网络中的决定性作用。此外，结合了中心扩展和氟化的 CH8F 二元 OSC 达到了 19.02% 的一流功率转换效率 (PCE)，明显优于同类产品。这些根源分析揭示了形成优异三维填料网络的基本结构元素，将进一步促进 SMA 的合理设计。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Materials Chemistry A CHEMISTRY, PHYSICAL-ENERGY & FUELS

CiteScore

19.50

自引率

5.00%

发文量

1892

审稿时长

1.5 months

期刊介绍： The Journal of Materials Chemistry A, B & C covers a wide range of high-quality studies in the field of materials chemistry, with each section focusing on specific applications of the materials studied. Journal of Materials Chemistry A emphasizes applications in energy and sustainability, including topics such as artificial photosynthesis, batteries, and fuel cells. Journal of Materials Chemistry B focuses on applications in biology and medicine, while Journal of Materials Chemistry C covers applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry A include catalysis, green/sustainable materials, sensors, and water treatment, among others.