Materials, Non-Fullerene Acceptors
N3 (Y6-N3) is another non-fullerene acceptor that belongs to the Y6 family. The only difference between N3 and Y6 is that the location of the branching points on the inside branched side chains and a slightly longer chain (3-ethylheptyl) for N3, while Y6 has classic 2-ethylhexyl branched side chains. With 3rd-position branched alkyl chains, N3, exhibits optimum properties in terms of domain size, crystallinity, and more dominant face-on orientation of the π-π stacking.
The difference between N3 and Y6 in chemical structure
N3 has a clear solid-state aggregation transition at 82 °C. The shifting of the branching position of the alkyl chains increases the solubility of the molecule significantly from 40 mg/mL for Y6 to 64 mg/mL for N3 in chloroform.
Optimised photovoltaic devices using a binary acceptor system with N3:PC71BM as the acceptors and PBDB-T-2F (PM6) as the polymer donor shows efficient device performance with power conversion efficiencies (PCEs) of up to 16.74% (device 1), and 18.69% while D18-Cl:N3:PC61BM (1:1.4:0.1) is used as the active layer materials (device 2).
Device structure 1: ITO/PEDOT:PSS/PM6:N3:PC71BM/PNDIT-F3N/Ag.
| Thickness (nm) | VOC (V) | JSC (mA cm-2) | FF (%) | PCE (%) |
| 110 | 0.850 | 25.71 | 76.6 | 16.74 |
Device structure 2: ITO/PEDOT:PSS/D18-Cl:N3:PC61BM (1:1.4:0.1)/PDIN/Ag.
| Thickness (nm) | VOC (V) | JSC (mA cm-2) | FF (%) | PCE (%) |
| 114 | 0.849 | 28.22 | 78.0 | 18.69 |
| CAS Number | N/A |
| Chemical Formula | C84H90F4N8O2S5 |
| Purity | >99% (1H NMR) |
| Full Name | 2,2'-((2Z,2'Z)-((12,13-bis(3-ethylheptyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2-g]thieno[2',3':4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile |
| Molecular Weight | 1479.98 g/mol |
| HOMO / LUMO | HOMO = -5.65 eV, LUMO = -4.10 eV [1] |
| Synonyms | Y6N3, Y6-N3, Y6-C2 |
| Classification / Family | NFAs, n-type non-fullerene electron acceptors, Organic semiconducting materials, Low band-gap small molecule, Small molecular acceptor, Organic photovoltaics, Polymer solar cells, NF-PSCs |
Chemical structure of N3
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