ZR1 has a larger electron donating coplanar core dithieno[2,3-d:2′,3′-d′]benzo [1,2-b:4,5-b′]dithiophene (DTBDT) with an extended conjugation length, flanked with hexyl substituted rhodanine as the peripheral ending acceptor groups.
It is believed that the extended A-π-D-π-A conjugation and planar structure of ZR1 can enhance the charge carrier mobility, reduce the conformational disorder of the backbone, and also increase the molecular planarity to facilitate electron delocalization in packed films. Using 3-octyl-2,2'-bithiophene as the π-bridge deepens the HOMO level and increases the molecular rigidity.
The UV-Vis absorption edge of the ZR1 is located at ca. 675 nm in chloroform processed as-cast thin film, corresponding to a medium optical bandgap of 1.84 eV. A binary all-small-molecule simple structured organic solar cells obtained the highest efficiency of 14.34% with ZR1 as the small molecule donor and NFAs Y6 as the NFA.
Device structure: ITO/PEDOT:PSS/ZR1:Y6/Al
|Thickness (nm)||VOC (V)||JSC (mA cm-2)||FF (%)||PCE (%)|
|Purity||>98% (1H NMR)|
|Full name||5,5'- [[4,8-bis[5-(2-butyloctyl)-2-thienyl]dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[3'-octyl[2,2'-bithiophene]-5'',5-diyl)methylidyne ]]bis[3-hexyl-2-thioxo-4-thiazolidinone]|
|Molecular weight||1810.96 g/mol|
|Absorption||λmax 620 nm (Film)|
|HOMO / LUMO||HOMO = -5.32 eV, LUMO = -3.53 eV |
|Classification / Family||Small molecule donors, Organic semiconducting materials, Low band-gap small molecule, Organic photovoltaics, OPV small molecule donor, All small molecule solar cells (SM-OSCs).|
MSDS DocumentationZR1 MSDS Sheet
Literature and Reviews
- All-small-molecule organic solar cells with over 14% efficiency by optimizing hierarchical morphologies, R. Zhou et al, Nature Commun., 10:5393 (2019); DOI: 10.1038/s41467-019-13292-1.
- Recent progress on all-small molecule organic solar cells using small-molecule nonfullerene acceptors, B. Kan et al., InfoMat., 3, 175–200 (2021); DOI: 10.1002/inf2.12163.
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