Designing Of Pcbm Derivative Using Pyridazine Compound For More Efficient Bulk Heterojunction Organic Solar Cell

This paper suggests new derivative for Phenyl-C61butyric acid methyl ester (PCBM) that can serve as better acceptor material in the bulk heterojunction (BHJ) organic solar cells (OSC). The new derivative (H2-PCBM) is based on the use of heterocyclic compounds Pyridazine, instead of the Phenyl group The use of this heterocyclic compound within the PCBM structure shows a good ability to adjust the PCBM Fermi level, produce more open-circuit voltage (Voc), and get a lower effective mass of the electron. Besides, the new derivative produces higher current than the PCBM when blended with Poly 3-hexylthiophene-2,5-diyl (P3HT) due to the higher values of electron mobility. The Density Functional Theory (DFT) calculations are used in Gaussian 16 software to evaluate the optoelectronic properties for this new derivative. The results show that the BHJ with PCBM, H2-PCBM, can give efficiency of 2.62%, 4.81%, respectively with the Poly 3-hexylthiophene-2,5-diyl (P3HT) donor material. The higher efficiency is due to the adjusted fermi level for the new derivative that help in producing more voltage and higher mobility, and both help in producing more current and less recombination.