期刊
CHEMICAL ENGINEERING JOURNAL
卷 441, 期 -, 页码 -出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.cej.2022.136058
关键词
Isomerization; Asymmetry; Y6 derivative; Polymorph; Structure -property-performance relationship
资金
- National Natural Science Foundation of China [NSFC] [21825502, 22075190, 21905185, 22105135]
- Special funds for local science and technology development guided by the central government [2020ZYD004]
- Foundation of State Key Laboratory of Polymer Materials Engineering [SKLPME 2017-2-04]
- Fundamental Research Funds for the Central Universities
- National Synchrotron Light Source II (NSLS-II)
- [DE-SC0012704]
This study explores the impact of isomerization on the performance of PSCs using asymmetrical Y6 derivatives, and finds that the differences in crystallization and polymorphism behavior of isomers significantly affect the performance of PSCs.
Non-fullerene small molecule acceptors (NF-SMAs) such as Y6 derivatives were the current working horse for the top performing polymer solar cells (PSCs). For this reason, numerous chemical modifications have been explored for establishing structure-property-performance relationship for Y6-based NF-SMAs. In this work, we explored the isomerization on asymmetrical Y6 derivatives by varying the position of alkoxy side chain on the thiophene linkage between the core and one of the end groups of Y6. The isomers with differences in conformational restriction raised by noncovalent interactions as well as steric hindrance revealed distinctive behavior in crystallization and polymorphism, which led to a significant contrast in PSC performances. The X-TO1 molecule with alkoxy side chain facing the end group (outward) displayed preferred molecular configuration and polymorph, delivering power conversion efficiency (PCE) of 15.63%, while its isomer X-TO2 showed coexisted polymorphs significantly increased the charge recombination in the PSC devices led to a low PCE around 3%. This structure-property-performance relationship not only highlighted the elegancy of isomerization in tuning the photovoltaic performances but also identified polymorphism as one of the causes for impairing photovoltaic performances of PSCs.
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