Preparation and Spectroscopic Analyses of Nano Metal Oxides

Abstract

As nanotechnology has grown rapidly in recent years, the research of nanocomposites has become progressively important to produce new materials for sophisticated technologies. Nanocomposites are the best approach to follow the requirements of multifunctional materials, since they are not only the flexible material type, but also have a high degree of integrated interaction. It is also predicted that nanocomposites would have a significant effect on the global economy and industry. The key point is that several of manufacturing fields such as optical and electrical, chemical and transportation industries. The present research is implemented to using molecular modeling to simulate the interactions among the polymer matrix and MOs that provide the experimental work. The proposed study is designed to the preparation of MO using chemical processes, such as the process of precipitation. MOs are characterized and then functionalized to be used in space applications using a natural polymer matrix that MO may improve its electronic, optical properties and thermal stability. To simulate the interactions between the polymer matrix and MOs, three theoretical models were considered. Calculations were carried out using DFT at B3LYP level with LANL2DZ basis set.  The first model simulates and studies NP interactions with MOs such as ZnO and CuO, such as Cel, Cs and NaAlg, to improve NP electronic properties and thermal properties. The first model results indicates that: