| Autor: |
Joshi, Divyansh, Vijayan, N., Kiran, Jyoti, Chetan, Goswami, Preeti, Gupta, Govind, Kavimani, M., Balachandran, V. |
| Zdroj: |
Journal of Materials Science: Materials in Electronics; Jul2024, Vol. 35 Issue 19, p1-20, 20p |
| Abstrakt: |
Slow evaporation solution growth technique (SEST) was used for growth of aromatic compound ethyl-p-hydroxybenzoate (EPHB). Powder X-ray diffraction was employed to study its crystal structure, crystalline perfection was determined using high resolution X-ray diffraction studies (HRXRD), Vickers microhardness tester was used for study of its mechanical properties, thermogravimetric analysis (TGA) was performed for thermal studies and the optical properties were investigated using photoluminescence and UV–Visible spectroscopy. The HRXRD studies reveals the absence of structural grain boundaries in the grown single crystal. The UV–Visible spectroscopy shows that the compound has cutoff wavelength of 305 nm and energy bandgap of 4.07 eV. The photoluminescence spectroscopy shows that titled material is a blue fluorescent material with emission wavelength of 430 nm. TGA study reveals that the compound is thermally stable upto 150 °C. The molecular structural features of the titled compound were examined employing the tool package of Gaussian 09W, adopting the basis set “B3LYP/6–311++ G(d, p)”. The occupation of orbitals in the lowest and highest range and the map of electric potential were also evaluated. The parameters related to geometry and fundamental attributes, such as bond length and bond angle were determined. Reduced density gradient (RDG) is a topological analysis technique that was used to show the non-covalent relationships within a molecule. The function of the localized electron and locator of orbital are utilized to assess the amount of localization. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
Full text from SpringerLink