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Product Code M2285A1-100mg
Price £440 ex. VAT

ZR1, high quality and high purity small molecule donor

Used to enhance charge carrier mobility

ZR1 has a large 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.

High Purity ZR1

High Purity

98% (1H NMR)

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Small molecule donor in OPVs

Small molecule donor in OPVs

Achieving PCE over 14%

Optical bandgap of 1.84 eV

Optical bandgap of 1.84 eV

Energy level of HOMO = -5.32 eV and LUMO = -3.53 eV

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 (%)
120 0.861 24.34 68.44 14.34

Chemical Structure

ZR1 small molecule donor chemical structure
Chemical structure of ZR1, a small molecule OPV donor material

General Information

CAS Number N/A
Chemical Formula C98H124N2O2S14
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
Form Black powder/crystals
Solubility Chloroform, chlorobenzene
Absorption λmax 620 nm (Film)
HOMO / LUMO HOMO = -5.32 eV, LUMO = -3.53 eV [1]
Synonyms ZR1
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 Documentation



Batch Quantity Price
M2285A1 100 mg £440
M2285A1 250 mg £900
M2285A1 500 mg £1600
M2285A1 1 g £2900

Literature and Reviews

  1. 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.
  2. 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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