Investigational, computational explorations on betanin, lycopene, cyanidin, and peonidin organic photo sensitizers for green energy harvesting

Abstract

In keeping green energy harvesting as a prime priority and lowering the cost per watt, three potential red-colored organic photosensitizers were separated and employed for proficient titanium dioxide (TiO2) photoanodes. In a prime attempt, Rivina Humilis fruit extract (Betanin) was used for natural dye-sensitized solar cells (NDSSCs). The Prunus cerasus fruits and Solanum lycopersicum fruits (Lycopene) extracts were also successfully employed to fabricate NDSSCs. Cyanidin, Peonidin, and Lycopene are the prominent colorants existent in Prunus cerasus, and their optimized molecular structure was premeditated via Density functional theory. Their thermochemistry and associated physical parameters, Frontier molecular orbitals (FMOs) analyses, theoretical ultraviolet (UV) – visible exploration, and molecular electrostatic potential reactivity analysis were studied. Microwave-assisted sol–gel practice has yielded pure anatase TiO2 nanoparticles (NPs). The pure, red dye-sensitized TiO2 NPs endured needed studies. Environment-friendly, cost-per-watt effective NDSSCs were accomplished by expanding three red-colored organic photoanodes. Among three photosensitizers, Rivina Humilis fruits showed 1.35%, followed by Prunus cerasus at 1.27 % and slightest by Solanum lycopersicum at 0.82%. And, owing to the above performances, these NDSSCs have the potential to be employed in low-power indoor energy harvesting.