Synergistic end-capped engineering on non-fused thiophene ring-based acceptors to enhance the photovoltaic properties of organic solar cells

Abstract

The computational analysis revealed the bathochromic shift of the UV-visible absorption, reduced band gap have and increased LHE of all developed molecules as compared to the reference molecule. VOC was calculated by making their complex of molecules with PTB7-Th donor.

Synthesis and photophysical properties of N-alkyl dithieno[3,2-b:2′,3′-d]pyrrole based donor/acceptor-π-conjugated copolymers for solar-cell application

“…To overcome these limitations, many research groups have focused on improving the light absorption ability and band alignments; as well as decreasing the HOMO energy level of conjugated polymers. 15,16 One of the most successful ways to obtain these targets is to reduce the bandgap. [17][18][19] Integration of donor-acceptor (D-A) functional units is one of the major ways to narrow the bandgap.…”

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

“…Oscillator strength ( f os ) 52 is the probability of electronic transition from the ground HOMO levels to the excited LUMO levels in photovoltaic cells. Higher absorption in the UV-visible zone means a higher f os , which in turn shows a greater charge transfer rate and hence a stronger oscillator strength.…”

Quantum chemical modification of indaceno dithiophene-based small acceptor molecules with enhanced photovoltaic aspects for highly efficient organic solar cells

“…Analysis of the FMOs is an essential scientific aspect for determining how well molecules facilitate charge movement and dispersion of electron density. 40 It is also useful in understanding the dispersion of charge facilitation and transmission in OSCs. Excitation takes place and electrons transmit from the valence to the conduction band.…”

“…38 Marcus theory can be used to examine the extent of charge mobility, both intermolecularly and intramolecularly, by analyzing the reorganization energy (RE). 39,40 Recent efforts of ours, however, have centred on the intramolecular charge transfer (ICT). RE is the sum of two reorganizational forces, one external and one internal.…”