Stoichiometry low-temperature dynamics crystal growth interpret of zinc oxide hexagonal nanocrystals

Highly crystalline zinc oxide nanoparticles (ZnO NPs) synthesized a unique simple unparalleled route without calcination in water bath. Rietveld refinement in whole powder pattern fitting (WPPF) method confirmed entirely 100 % ZnO wurtzite phase with (100) and (101) predominant planes confirmed by selected area electron diffraction (SAED) in transmission electron microscopy (TEM). X-ray diffraction (XRD) analysis provided detailed crystallographic parameters of wurtzite including axial parameters a=b= 3.253 Å, c= 5.212 Å, and angular parameters α=β= 90.0º, γ= 120.0º, lattice volume 47.775 Å 3 , crystal strain 0.12 %, dislocation density 5.82 × 10 −4 nm −2 and crystallite size 41.44 nm. UV–vis NIR absorption spectroscopy confirmed a blue shift at 364.5 nm for nano-sized distribution, corresponding to lower band gap of 3.24 eV. The computed lower activation energy 39.94 kj/mole indicated that ZnO NPs were highly reactive species and 1.23 % dynamic crystal growth observed at 400–600 ºC. TEM further corroborated the crystallographic parameters revealing average particle size 43.96 nm of nano wurtzite that explored in XRD and UV vis NIR. Energy dispersive spectroscopy (EDS) confirmed the composition of 80.35 % zinc and 19.65 % oxygen consistent with pure stoichiometry ZnO NPs. These findings demonstrate the effectiveness of the proposed synthesis route in producing high quality ZnO NPs with desirable properties for various functional applications. • Hexagonal structure [a=b= 3.253 Å, c= 5.212 Å] with lattice volume 47.775 Å 3 . • 100 % ZnO wurtzite phase, crystallinity 50.87 % and crystallite size 41.44 nm. • SAED revealed d-spacing 0.28175 nm (100) and 0.24784 nm (101). • UV absorbance at 364.50 nm (1.21 a.u.) and E a =39.94 kj/mole. • Average particle size 43.96 nm (TEM) and atomic mass Zn= 80.35 %, O= 19.65 %.