Designing of small molecule non-fullerene acceptors with cyanobenzene core for photovoltaic application
A quantum chemical analysis of four star-shaped anisotropic acceptor molecules (A1-A4)
having acceptor-acceptor′-acceptor (AA′-A) architecture has been performed for solar
cell applications. The designed acceptors consist of cyano benzene as central core,
thiophene as π-bridge and 2-methylenemalononitrile (A1), 6-methylene-2-thioxo-1, 3-
thiazinan-4-one (A2), 2-(2-methylene-3-oxo-2, 3-dihydro-1H-inden-1ylidene) malononitrile
(A3) and 5-methylene-2-thioxothiazolidin-4-one (A4) as peripheral acceptor units. DFT and …
having acceptor-acceptor′-acceptor (AA′-A) architecture has been performed for solar
cell applications. The designed acceptors consist of cyano benzene as central core,
thiophene as π-bridge and 2-methylenemalononitrile (A1), 6-methylene-2-thioxo-1, 3-
thiazinan-4-one (A2), 2-(2-methylene-3-oxo-2, 3-dihydro-1H-inden-1ylidene) malononitrile
(A3) and 5-methylene-2-thioxothiazolidin-4-one (A4) as peripheral acceptor units. DFT and …
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