Preferred crystallographic design of monoclinic tenorite (CuO) nanocrystals by powder X-ray line diffraction
Year: 2025
Type: article
Abstract: Explored extensive data analysis of the preferred design of monoclinic copper oxide (CuO) nanocrystals (NCs) synthesized by the unique co-precipitation route. The study highlights the effectiveness of XRD data analysis in obtaining comprehensive nanoparticle (NPs) properties, reducing the need for multiple experiments. Rietveld refinement analysis indicated that 100 % of the synthesized material comprised crystalline CuO NPs produced by the WPPF technique. XRD characterized the prominent crystalline phase, offering insights into the lattice parameters where a= 4.6864, b= 3.4287, c= 5.1321; α=β= 90°,γ= 99.4°; lattice volume 81.357 Å 3 , crystallite size 27.94 nm, microstrain 0.00414 Nm −2 , specific surface area 34.03 m 2 /g, dislocation density 1.28 × 10 −3 nm −2 , preference growth 0.117, stress is 455.4 MPa, energy density 942.7 kJ/m 3 , crystallinity index 2.0559 and atomic packing factor (APF) 72.13 %. The nanoscale size was confirmed by UV absorbance at 224.12 nm (0.191 a. u.), an optical band gap of 5.99 eV, and an average zeta potential value of −31.0 mV, indicating good stability in the medium. TEM explored an average particle size of 11.99 nm with a uniform distribution of inner core structure, while a lower particle size explored that the surface to volume ratio is too high. The SAED denoted as (110), (11-1), (111), and (11-2) planes, which were revealed by XRD. The sharp ring spot pattern suggested that the synthesized CuO NCs were in a polycrystalline nature. The synthesized CuO NPs are completely pure and have an atomic mass of 79.89 % Cu and 20.11 % O, almost similar to the stoichiometry value. The crystallographic data confirm the efficient formation of highly crystalline and preferred growth of monoclinic CuO NPs, with an improved crystallinity of 47.48 %, surpassing the ICDD standard [04-012-7238] of 45.91 %. • Crystallite size 27.94 nm and surface area 34.03 m 2 /g• Monoclinic structure with a = 4.6864, b = 3.4287, c = 5.1321, α = β = 90.0°,γ = 99.4°• Lattice volume 81.357 Å 3 and APF 0.7213• Average zeta potential value −31.0 Mv• 100.0 % tenorite phase and crystallinity 47.48 %. • 100 % tenorite phase and crystallinity 47.48 %. • Monoclinic structure with a = 4.6864, b = 3.4287, c = 5.1321, α = β = 90.0°,γ = 99.4°. • Measured lattice strain 0.414 %, lattice volume 81.357 Å 3 and APF 72.13 %. • UV absorbance at 224.12 nm (0.191 a. u.) and average particle size 11.99 nm by TEM. • SAED confirms CuO NCs were in a polycrystalline nature.
Source: Chemistry of Inorganic Materials
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,280
Awards: G2212387932, G4519240106, G6809947007
OpenAlex ID: W4414438802