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Title A name given to the resource Microwave assisted structural engineering on efficient eco-friendly natural dye alizarin for dye sensitized solar cells application Subject The topic of the resource DFT; Dye sensitized solar cells; Fluorescence quenching; HOMO-LUMO; Photoinduced electron transfer Description An account of the resource The novel eco-friendly natural dyes, (9E, 10E), ? 9, 10-bis(2-(4-nitrobenzylidene) hydrazono) ? 9,10 dihydroanthracene-1,2-diol (NHA) have been synthesised using the one-pot microwave-assisted solvent evaporation method, and physicochemical characterizations were carried out using 1H NMR, 13C NMR, GC-MS, and FT-IR data. The photophysical properties of NHA dye were determined using experimental and theoretical techniques. The Stoke's shift shows a large bathochromic shift in polar solvents, which is due to the ??? * transition. The ground-state optimization of NHA dye was carried out using density functional theory (DFT) with the B3LYP/631 G level basis set. The HOMO-LUMO and energy band gap values computed from density functional theory and absorption threshold wavelengths are good agreement with each other. Further, the effect of TiO2 nanoparticles on NHA dye has been studied using spectroscopic and electrochemical techniques. It was observed that, NHA dye showed fluorescence quenching in the presence of TiO2 NPs, which is due to the photo induced electron transfer process. The apparent association constant of the interaction between NHA dye and TiO2 nanoparticles is also calculated using the Benesi-Hildebrand model. The Rehm-Weller relation infers that thermodynamically favourable electron transfer takes place between dyes and TiO2 NPs. Further, the solar cell was constructed using NHA dye as a sensitizer, and the photovoltaic conversion efficiency was found to be 1.16%. 2023 Elsevier GmbH Creator An entity primarily responsible for making the resource Walki S.; Madar M.; Suresha S.; Kalarakoppa K.; Shetty V.R.; Refat M.S.; Alsuhaibani A.M.; Al-Humaidi J.Y.; Savanur H.M.; Naik L. Source A related resource from which the described resource is derived Optik, Vol-287 Publisher An entity responsible for making the resource available Elsevier GmbH Date A point or period of time associated with an event in the lifecycle of the resource 2023-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1016/j.ijleo.2023.171090" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.ijleo.2023.171090</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85164675977&amp;doi=10.1016%2Fj.ijleo.2023.171090&amp;partnerID=40&amp;md5=128e73fe91a236a591cc02ccc42c5073" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85164675977&amp;doi=10.1016%2fj.ijleo.2023.171090&amp;partnerID=40&amp;md5=128e73fe91a236a591cc02ccc42c5073</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 304026 Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Walki S., Department of Chemistry, Hirasugar Institute of Technology, Karnataka, Nidasosi, 591236, India; Madar M., V.M.K.S.R. Vastrad Arts, Science and V.S. Bellihal Commerce College, Karnataka, Hungud, 587118, India; Suresha S., Department of Physics, Government Science College Santhebennur, Karnataka, 577552, India; Kalarakoppa K., Department of Physics, Karnatak Science College, Karnataka, Dharwad, 560041, India; Shetty V.R., Department of Chemistry, NMKRV College for Womens, Jayanagar, Karnataka, Bengaluru, 577451, India; Refat M.S., Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif, 21944, Saudi Arabia; Alsuhaibani A.M., Department of Physical Sport Science, College of Education, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia; Al-Humaidi J.Y., Department of Chemistry College of Science Princess Nourah bint Abdulrahman University, P.O. BOX 84428, Riyadh, 11671, Saudi Arabia; Savanur H.M., Post Graduate Department of Studies and Research in Chemistry, P. C. Jabin Science College, Karnataka, Hubballi, 580021, India; Naik L., Department of Physics and Electronics, CHRIST University, Central Campus, Karnataka, Bengaluru, 560029, India