Materials, Organic Conductors, Semiconducting Molecules, Small Molecule OPV Donors
Like its BTR derivative, BTR-Cl (CAS number 2410661-17-3) has a backbone consisting of a benzodithiophene (BDT) unit in conjugation with two terthiophenes and two rhodanine periphera end groups forming a coplanar structure showing nematic liquid crystal behaviour.
BTR-Cl is a highly crystalline small molecular donor with even stronger intermolecular interaction, low-lying molecular energy levels, and a strong tendency for edge-on orientation.
A record-high power conversion efficiency (PCE) of 13.6% for ASM OSCs was achieved using BTR-Cl as electron donor and Y6 as electron acceptor [1]. Later on, 14.7% efficiency of the same donor acceptor BTR-Cl:Y6 system was obtained with a FF of 74.7%, and JSC of 23.66 mA cm-2 at the concentration of 18 mg/ml BTR-Cl:Y6 solution [2]. Further improvement leading to a record PCE of 15.34% was gained when 5 wt% of PC71BM was added in the active layer [3]
Device structure 1: ITO/PEDOT:PSS/BTR-Cl:Y6 (1.6:1)/Phen-NaDPO/Ag
| Thickness (nm) | VOC (V) | JSC (mA cm-2) | FF (%) | PCE (%) |
| 110 | 0.86 | 24.0 | 64.6 | 13.61 |
Device structure 2: ITO/PEDOT:PSS/BTR-Cl:Y6 (1.6:1)/Phen-NaDPO/Ag
| Thickness (nm) | VOC (V) | JSC (mA cm-2) | FF (%) | PCE (%) |
| 110 | 0.83 | 23.66 | 74.7 | 14.70 |
Total concentration of the active layer is 18 mg/ml
Device structure 3: ITO/PEDOT:PSS/BTR-Cl:Y6:5 wt% PC71BM (1.8:1:0.1)/Phen-NaDPO/Ag
| Thickness (nm) | VOC (V) | JSC (mA cm-2) | FF (%) | PCE (%) |
| 110 | 0.838 | 23.75 | 77.11 | 15.34 |
| Full name | 5,5'- [[4,8-bis[5-(2-ethylhexyl)-4-chloro-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[(3',3''-dihexyl[2,2':5',2''-terthiophene]-5'',5-diyl)methylidyne ]]bis[3-hexyl-2-thioxo-4-thiazolidinone] |
| Purity | 98% (1H NMR) |
| Synonyms |
BTR-Cl |
| Chemical formula | C102H126Cl2N2O2S14 |
| Molecular weight | 1931.97 g/mol |
| CAS number | 2410661-17-3 |
| HOMO / LUMO | HOMO = -5.46 eV LUMO = -3.70 eV [1] |
| Melting point (DSC) | 226°C, 195°C (Tg) |
| Absorption | λmax 580 nm, 624 nm in film |
| Color/form | Dark purple powder/crystals |
| Solubility/processing solvents | Chloroform, chlorobenzene |
| Classification / Family | Benzodithiophene (BDT) derivatives, Heterocyclic five-membered ring, Organic semiconducting materials, Organic Photovoltaics, Small molecule donor, SM-OPVs, Liquid crystal |
Chemical structure of BTR-Cl, OPV small molecule donor, CAS# 2410661-17-3.
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