A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors

Xiao-Bin Gu; Jin-Hua Gao; Zi-Yang Han; Yu-Hao Shi; Ya-Nan Wei; Yin-Cheng Zhang; Qian Peng; Zhi-Xiang Wei; Xin Zhang; Hui Huang

doi:10.1007/s10118-022-2888-9

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A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors

RESEARCH ARTICLE | Updated：2023-03-07

- A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors
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- A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors
- 高分子科学（英文版） 2023年41卷第4期页码：556-563
- Affiliations：
  
  a.College of Materials Science and Opto-Electronic Technology, Center of Materials Science and Optoelectronics Engineering, CAS Center for Excellence in Topological Quantum Computation, CAS Key Laboratory of Vacuum Physics, University of Chinese Academy of Sciences, Beijing 100049, China
  b.School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
  c.CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Beijing 100190, China
- Author bio：
  
  zhangxin2019@ucas.ac.cn (X.Z.)
  huihuang@ucas.ac.cn (H.H.)
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (Nos. 52103352, 51925306 and 52120105006), National Key R&D Program of China (No. 2018FYA 0305800), Key Research Program of Chinese Academy of Sciences (No. XDPB08-2), the Strategic Priority Research Program of Chinese Academy of Sciences (No. XDB28000000), the Youth Innovation Promotion Association of Chinese Academy of Sciences (No. 2022165), and the Fundamental Research Funds for the Central Universities. DFT results described in this article were obtained from the National Supercomputing Center in Shenzhen (Shenzhen Cloud Computing Center).;Electronic supplementary information (ESI) is available free of charge in the online version of this article at http://doi.org/10.1007/s10118-022-2888-9.
- DOI：10.1007/s10118-022-2888-9
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A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors[J]. 高分子科学（英文版）, 2023,41(4):556-563.

Xiao-Bin Gu, Jin-Hua Gao, Zi-Yang Han, et al. A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors[J]. Chinese Journal of Polymer Science, 2023,41(4):556-563.
A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors[J]. 高分子科学（英文版）, 2023,41(4):556-563. DOI： 10.1007/s10118-022-2888-9.

Xiao-Bin Gu, Jin-Hua Gao, Zi-Yang Han, et al. A Simple Building Block with Noncovalently Conformational Locks towards Constructing Low-Cost and High-Performance Nonfused Ring Electron Acceptors[J]. Chinese Journal of Polymer Science, 2023,41(4):556-563. DOI： 10.1007/s10118-022-2888-9.

摘要

In this work, a simple building block (POBT) based on bithiophene was designed and synthesized, which could be regarded as tailoring from the fused-ring CPT unit. Two novel NFREAs based on CPT and POBT were developed, and PBDB-T:TT-POBT based PSC devices showed a much better PCE than the TT-CPT counterpart.

Abstract

Nonfused ring electron acceptors (NFREAs) have attracted much attention due to their concise synthetic routes and low cost. However, developing high-performance NFREAs with simple structure remains a great challenge. In this work, a simple building block (POBT) with noncovalently conformational locks (NoCLs) was designed and synthesized. Single-crystal X-ray study indicated the presence of S···O NOCLs in POBT, thus enabling it to possess a coplanar conformation comparable to that of fused-ring CPT. Two novel NFREAs based on CPT and POBT were developed, namely ,TT-CPT, and ,TT-POBT, respectively. Besides,TT-POBT, possessed a smaller Stokes shift and a reduced reorganization energy compared with ,TT-CPT, indicating the introduction of S···O NoCLs can enhance the molecular rigidity even if simplifying the molecular structure. As a result, the ,TT-POBT,-based PSC device afforded an impressive power conversion efficiency of 11.15%, much higher than that of ,TT-CPT, counterpart (7.03%), mainly resulting from the tighter ,π,-,π, stacking, improved and balanced charge transport, and more favorable film morphology. This work demonstrates the potential of the simple building block POBT with NoCLs towards constructing low-cost and high-performance NFREAs.

关键词

Keywords

Polymer solar cellsNonfused ring electron acceptorsSimple building blockNoncovalent conformation locksReorganization energy

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