Strategies toward the end-group modifications of indacenodithiophene based non-fullerene small molecule acceptor to improve the efficiency of organic solar cells; a DFT study

Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study

“…Light harvesting efficiency (LHE) measures the ability of a molecule to absorb photons. According to the following eqn (6) , 53 its value is exactly proportional to the oscillator strength ( f os ): LHE = 1 − 10 − f Here, LHE represents light harvesting efficiency, and f represents the oscillator strength, describing the relationship between the two variables. We make use of solvent-phase oscillator strength to evaluate LHE.…”

“…Light harvesting efficiency (LHE) measures the ability of a molecule to absorb photons. According to the following eqn (6), 53 its value is exactly proportional to the oscillator strength (f os ):…”

Quantum modeling of dimethoxyl-indaceno dithiophene based acceptors for the development of semiconducting acceptors with outstanding photovoltaic potential

“…Higher D numbers indicate that molecules are more prone to crystallize, and that they disperse more easily in polar liquids, both of which enhance charge transmission. 66 Molecules with negligible D value are often not soluble in polar aprotic solvents like CHCl 3 . This correlation is not, however, always true since the molecular structure of a given molecule determines its reactivity toward solvents and its ability to transmit charges.…”

Quantum Modification of Indacenodithieno[3,2-b]thiophene-Based Non-fullerene Acceptor Molecules for Organic Solar Cells of High Efficiency

“…This, in turn, leads to tight structural packing, which improves the crystalline nature and results in greater solubility in polar solvents. Molecules having a greater D likely become more crystalline, and they diffuse more readily in polar solvents as a result, both of which improve charge conduction . Polar organic solvents like CHCl 3 tend to be insoluble for molecules lacking a dipole moment.…”