期刊
ACS MATERIALS LETTERS
卷 5, 期 6, 页码 1710-1717出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsmaterialslett.3c00331
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In this study, two isomeric nonfullerene acceptors (ThMeCl-1 and ThMeCl-2) were synthesized and incorporated as the third component in ternary solar cells. It was found that compared to ThMeCl-1, the incorporation of ThMeCl-2 in the solar cells resulted in lower energy loss, leading to an increase in open-circuit voltage and maximum efficiency. This work provides guidance for controlling molecular packing in ternary systems to prepare high-performance organic photovoltaics.
Organic semiconductors based upon conjugated frameworksare oftenisomeric and display distinct optoelectronic properties within minorstructural variation. In this work, two isomeric nonfullerene acceptors(NFAs) ThMeCl-1 and ThMeCl-2, having the methyl and chlorine atomsattached on different positions of the electron-withdrawing end group,are synthesized and incorporated as the third component in ternarysolar cells. Although these NFA isomers exhibit a similar bandgap,energy levels, and energy loss in their PM6 based binary devices,the efficiency enhancements in ternary devices differ significantly.Compared to ThMeCl-1, the incorporation of ThMeCl-2 in PM6:C5-16 solarcells enables less energy loss, leading to an extra 0.03 eV open-circuitvoltage gain and a maximum efficiency increase from 17.8 to 18.9%.Grazing-incidence X-ray diffraction and molecular dynamics simulationsreveal that this is attributed to the versatile intermolecular pi-pi stacking forms between ThMeCl-2 and the host NFA, which result inimproved charge transport and suppressed recombination. This workprovides a rational guidance for controlling the molecular packingin ternary systems to prepare high performance organic photovoltaics.
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