Title : Synthesis of Copper (II) Oxide Nanoparticles using Curcumin and Investigation of Molecular Interactions through DFT Analysis
Abstract:
The synthesis of copper oxide nanoparticles using curcumin has been successfully conducted in an environmentally friendly solvent. We explored the molecular interactions between curcumin, a naturally occurring polyphenolic compound known for its numerous health benefits, and copper oxide nanoclusters using Density Functional Theory (DFT). These copper oxide nanoclusters have attracted considerable attention due to their remarkable optical, electronic, and catalytic properties. Understanding the molecular-level interaction between curcumin and these nanoclusters is vital for advancing applications in drug delivery, bioimaging, and therapeutics. The DFT calculations align well with experimental results, including UV-visible and IR spectra. A comprehensive analysis of the density of states indicates that curcumin functions not only as a reducing and stabilizing agent for copper nanoclusters but also plays a role in activating the nanoparticles by lowering the band gap in CuO nanoparticles.
