On Zagreb Type Molecular Descriptors of Ceria Oxide and Their Applications

Abstract

Cerium oxide is an oxide of the rare-earth metal cerium. It is a pale yellow-white powder with the chemical formula CeO2. It is an important commercial product and an intermediate in the purification of the element from the ores. Cerium oxide nanoparticles (CeO2 NPs) has gained their importance as engineered nano materials (ENMs) that have wide applications as catalysts in industry, which direct to their prominent occurrence in natural and engineered water systems. In waste water treatment plants, CeO2 NPs can stay colloidally stable and be unconstrained in the secondary effluents. As they entered into tertiary treatment , such as advanced oxidation processes (AOPs), it is noteworthy that how the generated reactive oxygen species will change the colloidal stability, aggregation, and the surface chemistry of CeO2 NPs. Chemical graph theory plays an important role in modeling and designing any chemical structure. The topological indices are the numerical invariants of a molecular graph and are very useful for predicting their physical properties. In this paper, we study the chemical graph of crystal structure of ceria oxide CeO2. Also, we compute degree based molecular descriptors(topological indices).