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@article{195488,
        author = {S ARUL},
        title = {2-2’Dihydroxye-azobenzene Dye Sensitizer Solar Cell- DFT calculations},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {11},
        pages = {819-829},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=195488},
        abstract = {The geometries, electronic structures, Polarizability, and hyperpolarizability of organic dye sensitizer 2-2 Dihydroxye azobenzene were find out, based on ab initio HF and Density Functional Theory (DFT) using the hybrid functional B3LYP. Ultraviolet-visible (UV-Vis) spectrum was analysed by Time Dependent DFT (TDDFT). The intermolecular contacts have been studied using natural bond orbital and natural localized molecular orbital analysis. The main non-liner properties such as electric dipole moment and Polarizability and hyperpolarizability of 2-2 Dihydroxye azobenzene have been determined using B3LP quantum chemical calculations. Finally, the HOMO-LUMO energy gap and Mulliken population analysis on atomic charges and Global local reactivity descriptors of the title compound have been deliberated.},
        keywords = {Dye sensitizer, Density functional theory, electronic structure, Absorption spectrum, Natural localized molecular orbital.},
        month = {April},
        }