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Title: Propeller-shaped acceptors for high-performance non-fullerene solar cells: Importance of the rigidity of molecular geometry

Abstract

This study describes the synthesis and application of βTPB6 and βTPB6-C as electron acceptors for organic solar cells. Compound βTPB6 contains four covalently bonded PDIs with a BDT-Th core at the β-position. The free rotation of PDIs renders βTPB6 with varying molecular geometries. The cyclization of βTPB6 yields βTPB6-C with high rigidity of the molecular geometry and enlarged conjugated skeleton. The inverted solar cells based on βTPB6-C and PTB7-Th as the donor polymer exhibited the highest efficiency of 7.69% with Voc of 0.92 V, Jsc of 14.9 mAcm–2, and FF of 0.56, which is 31% higher than that for βTPB6 based devices. The larger fraction of βTPB6-C and PTB7-Th than that of βTPB6:PTB7-Th in a blend film takes a face-on orientation packing pattern for π-systems that benefits the charge transport and hence higher PCE value than that for βTPB6:PTB7-Th. It was also found that a proper DIO:DPE additive further enhances this trend, which results in an increase of the PCE value for βTPB6-C:PTB7-Th while decreasing the PCE value for βTPB6:PTB7-Th.

Authors:
ORCiD logo [1];  [1];  [1];  [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [2];  [1]
  1. The Univ. of Chicago, Chicago, IL (United States)
  2. Argonne National Lab. (ANL), Lemont, IL (United States); The Univ. of Chicago, Chicago, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Energy Frontier Research Centers (EFRC) (United States). Argonne-Northwestern Solar Energy Research Center (ANSER)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Materials Sciences and Engineering Division; National Science Foundation (NSF); University of Chicago, Materials Research Science & Engineering Center (MRSEC); USDOE Office of Science, Energy Frontier Research Center; Argonne-Northwestern Solar Energy Research (ANSER)
OSTI Identifier:
1352567
Grant/Contract Number:  
AC02-06CH11357; SC0001059
Resource Type:
Accepted Manuscript
Journal Name:
Chemistry of Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 3; Journal ID: ISSN 0897-4756
Publisher:
American Chemical Society (ACS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wu, Qinghe, Zhao, Donglin, Yang, Jinghui, Sharapov, Valerii, Cai, Zhengxu, Li, Lianwei, Zhang, Na, Neshchadin, Andriy, Chen, Wei, and Yu, Luping. Propeller-shaped acceptors for high-performance non-fullerene solar cells: Importance of the rigidity of molecular geometry. United States: N. p., 2017. Web. https://doi.org/10.1021/acs.chemmater.6b04287.
Wu, Qinghe, Zhao, Donglin, Yang, Jinghui, Sharapov, Valerii, Cai, Zhengxu, Li, Lianwei, Zhang, Na, Neshchadin, Andriy, Chen, Wei, & Yu, Luping. Propeller-shaped acceptors for high-performance non-fullerene solar cells: Importance of the rigidity of molecular geometry. United States. https://doi.org/10.1021/acs.chemmater.6b04287
Wu, Qinghe, Zhao, Donglin, Yang, Jinghui, Sharapov, Valerii, Cai, Zhengxu, Li, Lianwei, Zhang, Na, Neshchadin, Andriy, Chen, Wei, and Yu, Luping. Fri . "Propeller-shaped acceptors for high-performance non-fullerene solar cells: Importance of the rigidity of molecular geometry". United States. https://doi.org/10.1021/acs.chemmater.6b04287. https://www.osti.gov/servlets/purl/1352567.
@article{osti_1352567,
title = {Propeller-shaped acceptors for high-performance non-fullerene solar cells: Importance of the rigidity of molecular geometry},
author = {Wu, Qinghe and Zhao, Donglin and Yang, Jinghui and Sharapov, Valerii and Cai, Zhengxu and Li, Lianwei and Zhang, Na and Neshchadin, Andriy and Chen, Wei and Yu, Luping},
abstractNote = {This study describes the synthesis and application of βTPB6 and βTPB6-C as electron acceptors for organic solar cells. Compound βTPB6 contains four covalently bonded PDIs with a BDT-Th core at the β-position. The free rotation of PDIs renders βTPB6 with varying molecular geometries. The cyclization of βTPB6 yields βTPB6-C with high rigidity of the molecular geometry and enlarged conjugated skeleton. The inverted solar cells based on βTPB6-C and PTB7-Th as the donor polymer exhibited the highest efficiency of 7.69% with Voc of 0.92 V, Jsc of 14.9 mAcm–2, and FF of 0.56, which is 31% higher than that for βTPB6 based devices. The larger fraction of βTPB6-C and PTB7-Th than that of βTPB6:PTB7-Th in a blend film takes a face-on orientation packing pattern for π-systems that benefits the charge transport and hence higher PCE value than that for βTPB6:PTB7-Th. It was also found that a proper DIO:DPE additive further enhances this trend, which results in an increase of the PCE value for βTPB6-C:PTB7-Th while decreasing the PCE value for βTPB6:PTB7-Th.},
doi = {10.1021/acs.chemmater.6b04287},
journal = {Chemistry of Materials},
number = 3,
volume = 29,
place = {United States},
year = {2017},
month = {1}
}

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