首页|Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches

Interference of oxygen during the solution combustion synthesis process of ZnO particles: Experimental and data modeling approaches

扫码查看
? 2021 The Korean Society of Industrial and Engineering ChemistryIn the present study, the ratio of reducing to oxidizing (F/O) elements as an indicator for maximum oxygen interference during the solution combustion synthesis (SCS) process of ZnO particles was determined using simple mathematical calculations. The obtained result was called special point (S.P). To interpret the role of S.P in the SCS reactions, ZnO particles were synthesized in the presence of citric acid, hexamine, hydrazine, and urea with various F/O values (0.75, 1, 1.25). The correlations between the S.P, physicochemical properties of the synthesized ZnO powders, and density functional theory (DFT) predictions were investigated. X-ray diffraction results, band-gap values, oxygen vacancy data, DFT results, and S.P points demonstrated the direct relation of these parameters. According to the S.P idea, it can be affirmed that the structural defects, particle size, optical band-gap (Eg = 3.06), the color of the products, the magnetic properties (0.2 emu/g), and the antibacterial inhibitory (15.625 μg/mL) of the synthesized particles were controlled via the interference of O2 during the synthesis process. In fact, the S.P investigation was suggested that the reaction rate of the combustion synthesis process could regulate the properties of ZnO particles.

Calculation modelDensity functional theoryOxygen interferenceSolution combustion synthesisZinc oxide

Garmroudi Nezhad E.、Kermani F.、Mollaei Z.、Mollazadeh S.、Mashreghi M.、Vahdati Khakhi J.

展开 >

Department of Materials Engineering Faculty of Engineering Ferdowsi University of Mashhad (FUM)

Department of Biology School of Science Ferdowsi University of Mashhad

2022

Journal of industrial and engineering chemistry

Journal of industrial and engineering chemistry

EISCI
ISSN:1226-086X
年,卷(期):2022.107
  • 3
  • 49