PMID- 38242849
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20240304
IS  - 1521-3773 (Electronic)
IS  - 1433-7851 (Linking)
VI  - 63
IP  - 11
DP  - 2024 Mar 11
TI  - Tailoring the Position of Ester Group on N-Alkyl Chains of Benzotriazole-based 
      Small Molecule Acceptors for High-Performance Organic Solar Cells.
PG  - e202319635
LID - 10.1002/anie.202319635 [doi]
AB  - Side chain engineering plays a vital role in exploring high-performance small 
      molecule acceptors (SMAs) for organic solar cells (OSCs). In this work, we 
      designed and synthesized a series of A-DA'D-A type SMAs by introducing different 
      N-substituted alkyl and ester alkyl side chains on benzotriazole (BZ) central 
      unit and aimed to investigate the effect of different ester substitution 
      positions on photovoltaic performances. All the new SMAs with ester groups 
      exhibit lower the lowest unoccupied molecular orbital (LUMO) energy levels and 
      more blue-shifted absorption, but relatively higher absorption coefficients than 
      alkyl chain counterpart. After blending with the donor PM6, the ester side 
      chain-based devices demonstrate enhanced charge mobility, reduced amorphous 
      intermixing domain size and long-lived charge transfer state compared to the 
      alkyl chain counterpart, which are beneficial to achieve higher short-circuit 
      current density (J(sc) ) and fill factor (FF), simultaneously. Thereinto, the 
      PM6 : BZ-E31 based device achieves a higher power conversion efficiency (PCE) of 
      18.33 %, which is the highest PCE among the OSCs based on the SMAs with BZ-core. 
      Our work demonstrated the strategy of ester substituted side chain is a feasible 
      and effective approach to develop more efficient SMAs for OSCs.
CI  - (c) 2024 Wiley-VCH GmbH.
FAU - Zhou, Liuyang
AU  - Zhou L
AD  - Department of Chemistry and Hong Kong Branch of Chinese National Engineering 
      Research Center for Tissue Restoration and Reconstruction, Hong Kong University 
      of Science and Technology Clear Water Bay, Kowloon, Hong Kong, 999077, China.
FAU - Yu, Han
AU  - Yu H
AD  - Department of Chemistry and Hong Kong Branch of Chinese National Engineering 
      Research Center for Tissue Restoration and Reconstruction, Hong Kong University 
      of Science and Technology Clear Water Bay, Kowloon, Hong Kong, 999077, China.
FAU - Zhang, Jinyuan
AU  - Zhang J
AD  - Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic 
      Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, 
      China.
FAU - Qiu, Dingding
AU  - Qiu D
AD  - CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center 
      for Nanoscience and Technology, Beijing, 100190, China.
FAU - Fu, Yuang
AU  - Fu Y
AD  - Department of Physics, Chinese University of Hong Kong, New Territories, Hong 
      Kong, 999077, China.
FAU - Yi, Jicheng
AU  - Yi J
AD  - Department of Chemistry and Hong Kong Branch of Chinese National Engineering 
      Research Center for Tissue Restoration and Reconstruction, Hong Kong University 
      of Science and Technology Clear Water Bay, Kowloon, Hong Kong, 999077, China.
FAU - Xie, Lan
AU  - Xie L
AD  - Department of Chemistry and Hong Kong Branch of Chinese National Engineering 
      Research Center for Tissue Restoration and Reconstruction, Hong Kong University 
      of Science and Technology Clear Water Bay, Kowloon, Hong Kong, 999077, China.
FAU - Li, Xiaojun
AU  - Li X
AD  - Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic 
      Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, 
      China.
FAU - Meng, Lei
AU  - Meng L
AD  - Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic 
      Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, 
      China.
FAU - Zhang, Jianqi
AU  - Zhang J
AD  - CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center 
      for Nanoscience and Technology, Beijing, 100190, China.
FAU - Lu, Xinhui
AU  - Lu X
AD  - Department of Physics, Chinese University of Hong Kong, New Territories, Hong 
      Kong, 999077, China.
FAU - Wei, Zhixiang
AU  - Wei Z
AD  - CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center 
      for Nanoscience and Technology, Beijing, 100190, China.
FAU - Li, Yongfang
AU  - Li Y
AUID- ORCID: 0000-0002-2565-2748
AD  - Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Organic 
      Solids, Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, 
      China.
FAU - Yan, He
AU  - Yan H
AD  - Department of Chemistry and Hong Kong Branch of Chinese National Engineering 
      Research Center for Tissue Restoration and Reconstruction, Hong Kong University 
      of Science and Technology Clear Water Bay, Kowloon, Hong Kong, 999077, China.
LA  - eng
GR  - 2019YFA0705900/Ministry of Science and Technology of the People's Republic of 
      China/
GR  - 22075057, 52103243/National Natural Science Foundation of China/
PT  - Journal Article
DEP - 20240205
PL  - Germany
TA  - Angew Chem Int Ed Engl
JT  - Angewandte Chemie (International ed. in English)
JID - 0370543
SB  - IM
OTO - NOTNLM
OT  - benzotriazole
OT  - ester side chains
OT  - organic solar cells
OT  - side chain engineering
OT  - small molecule acceptors
EDAT- 2024/01/20 05:42
MHDA- 2024/01/20 05:43
CRDT- 2024/01/19 22:33
PHST- 2023/12/19 00:00 [received]
PHST- 2024/01/20 05:43 [medline]
PHST- 2024/01/20 05:42 [pubmed]
PHST- 2024/01/19 22:33 [entrez]
AID - 10.1002/anie.202319635 [doi]
PST - ppublish
SO  - Angew Chem Int Ed Engl. 2024 Mar 11;63(11):e202319635. doi: 
      10.1002/anie.202319635. Epub 2024 Feb 5.