Synthesis of a novel coumarin heterocyclic derivative and fabrication of hybrid nanocomposite thin film with CoOFe2O4 for optoelectronic applications
| Autor: | M.G.A. Saleh, Safwat A. Mahmoud, Samia M. Ibrahim, A.A. El-Rayyes, Sh. A. Almotairi, M. Sh. Zoromba, Roaa T. Mogharbel, M.H. Abdel‑Aziz, H. Kh. Thabet, I. H. El Azab, A. Ibrahim, Ahmed F. Al-Hossainy |
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| Rok vydání: | 2021 |
| Předmět: |
Photoluminescence
Nanocomposite 010405 organic chemistry business.industry Band gap Chemistry Organic Chemistry Nanoparticle 010402 general chemistry 01 natural sciences Molecular electronic transition 0104 chemical sciences Analytical Chemistry Inorganic Chemistry Semiconductor Optoelectronics Thin film business HOMO/LUMO Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1241:130640 |
| ISSN: | 0022-2860 |
| Popis: | Novel synthesis of 3-(2-oxo-2H-chromene-3-yl) quinoxaline-2(1H)-one nanostructured thin film [3OCQ]TF has been developed. Its compositional, structural flexibility, tunable bandgap, high quantum photoluminescence yields, optical and electronic properties have been explored. While the progress of these properties has been studied recently, the roots of electronic transition in different kinds of organic nano- semiconductors [3OCQ] remain unclear. In this investigation, we explored the photon transfer between a single 3D and null dimensional [3OCQ] and the hybrid nanocomposite of coumarin derivatives thin film [3OCQ/CoOFe2O4]HC. Using DFT simulation, the structure measurements can determine the energy gap and optical properties of [3OCQ] and [3OCQ/CoOFe2O4]HC. They are more comparable than conventional semiconductors to individual molecular quinoxaline. The obtained DFT data provide good proof for the electronic transition in zero-dimensional [3OCQ] and [3OCQ/CoOFe2O4]HC. This study provides valuable information on the nature and sources of defect formation and electronic transition in organic nano-semiconductor [3OCQ]TF and [3OCQ/CoOFe2O4]HC which open the way for the application as an optoelectronic device. Photoluminescence measurements showed enhanced, red-shifted fluorescence intensities for the fluorophore [3OCQ] with the addition of Cobalt Ferrite [CoOFe2O4] nanoparticles. This can be attributed to the effect of the transition of fluorescent resonance energy and the overlap of the fluorophore emission band with metal nanoparticles resonance surface plasmon bands. The results specifically determine that Δ E g O p t values decrease from 2.348 eV for [3OCQ]TF to 1.549 eV for [3OCQ/CoOFe2O4]HC using the DFT computations HOMO and LUMO calculation. This result concluded that the [3OCQ]TF transformed from semiconductor to [3OCQ/CoOFe2O4]HC as a superconductor hybrid nanocomposite by the addition of (CoOFe2O4 nanoparticles). |
| Databáze: | OpenAIRE |
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