CAS Number 1664293-06-4
ITIC (CAS number 1664293-06-4) represents the start of a new generation of non-fullerene acceptors for organic photovoltaics (OPVs). The energy levels of ITIC allow for good alignment with low band-gap polymers, resulting in enhanced charge separation efficiency and reduced energy loss. ITIC molecules also have strong and broad absorption characteristics, from the visible region of the electromagnetic spectrum to the near infrared, peaking at 700 nm. This gives it the potential to increase the total absorption of an OPV device and enable improved power conversion efficiencies (PCEs). ITIC has also proved to have excellent thermal stability, with devices showing no losses after being held at 100 °C for 250 hours.
These properties have resulted in ITIC becoming the first small molecule electron acceptor to outperform the most efficient fullerene acceptor, PC70BM, in an OPV device when fabricated in a controlled environment, such as a glove box. When used in conjunction with PBDB-T (PCE12) in an inverted-architecture device, ITIC enabled a power conversion efficiency of over 11% to be reached. By comparison, when PC70BM was used as the electron acceptor, a PCE of less than 8% was achieved.
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General Information
CAS Number
1664293-06-4
Chemical Formula
C94H82N4O2S4
Purity
≥98.0% (1H NMR)
Full Name
3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene
Molecular Weight
1427.94 g/mol
HOMO / LUMO
HOMO = -5.48 eV, LUMO = -3.83 eV [1]
Synonyms
ITIC
Classification / Family
Non-fullerene acceptors (NFAs), organic semiconducting materials, low band gap small molecule, small molecular acceptors (SMAs), organic photovoltaics, polymer solar cells, NF-PSCs, n-type
Chemical Structure
The chemical structure of ITIC features (1) electron withdrawing substituents, (2) a central electron donating fused ring system, and (3) rigid side chains
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