Experimental and theoretical study of (PVC) Nanoparticles prepared by laser ablation in ethanol

摘要

In this manuscript divide into two parts the first experimental and the second theoretical. The experimental part of polyvinyl chloride (PVC) can be used with aluminum (30%). Nanomaterials are synthesized by a laser pulse melting solution by ethanol. The effect of laser on the structural, morphological, optical, and electrical properties of nanoparticles (PVC) was examined by UV spectroscopy, x-ray diffraction (XRD), electron microscopy (TEM). The theoretical part of the DFT can be used to approximate the generalized gradient of the Perdew, Burke, and Ernzerhof (PBE) / 6-31G (d) groups, which were created using additional Gaussian 09 software through Gaussian 5.08. To build PVC nanocrystal pure which chemical formula [(C2H3Cl)n] and build ( PVC-A1) nanocrystal doped with one atom of Aluminum. The energy gap, Diffraction angles, excitation energy, transmission, absorption, bond length and IR spectrum was studied. The results show the experiment value is very near to theoretical value.