Engineering of Spectral Properties of ZnO Nanoparticles in PVA Media: Green Synthesis and Theoretical Analysis
Year: 2025
Type: conference-paper
Abstract: This work is devoted to development of luminescent materials based on ZnO nanoparticles synthesized in polymer media by modified co-precipitation method using green chemistry principles. The polyvinyl alcohol (PVA) media have caused great impact on the absorption and luminescence properties of the synthesized ZnO-xPVA nanoparticles. The spectra of the pure ZnO samples contain a narrow a band around 385 nm and a broad band peaked at 510 nm, while the spectra of the ZnO-xPVA samples are dominated by a band in the red spectral region. The assumption was made that these bands are related to donor-acceptor recombination transitions between Zniand Oior Hidefect energy levels. Theoretical calculations of the electronic structure of ZnO crystals containing a set of point defects including Hiand Citheir combinations with Oinative defects were carried out. The density functional theory (DFT) band-periodic method within the super-cell approach was used to verify this assumption. Results of the calculations of the optical spectra were compared with spectral features of the samples, including low temperature and high energy excitations of the ZnO-xPVA nanoparticles.
Language: English
Topic: ZnO doping and properties
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W4415744409