Structural, morphological, optical, and electromechanical analysis of green-synthesized Ti-doped ZnO nanoparticles for optoelectronic applications
Year: 2025
Type: article
Abstract: In this study titanium (Ti 4+ ) doped zinc oxide (ZnO) nanoparticles were synthesized via a green solution combustion method employing Calotropis gigantea as fuel. Employing various characterization techniques, the structural, morphological, elastic, and electromechanical properties were studied. The Rietveld refinement confirms the presence of hexagonal wurtzite structure with lattice strain induced by Ti 4+ substitution. The computational simulation using GULP reveals how Ti 4+ doping modifies the mechanical stiffness and dielectric response of ZnO by showing direction-dependent elastic and dielectric behaviour. The crystallite size obtained using Scherrer equation and dislocation density have shown a non-linear trend with optimal grain growth at 5 % of Ti 4+ as observed in 3D map. Electron density (ED) mapping reveals evolving symmetry and strain distribution across doping levels. The analysis of surface texture highlights enhanced surface waviness and roughness with heterogeneity. The shift in vibrational modes can be seen in FTIR spectra, affirming dopant incorporation and reduced surface organics. A tunable bandgap from 3.25 to 3.50 eV have been obtained using UV–Vis absorption, showing potential for optoelectronics. These materials have application in UV-protective coatings, sensors, and photocatalytic systems.
Source: Micro and Nanostructures
Institutions: Wayne State University, University of Mysore
Language: English
Topic: ZnO doping and properties
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $3,070
OpenAlex ID: W7117137864