Effect the concentration of NH3 gas adsorbed on the graphene sheet on the electrical and thermal properties: A theoretical study

Abstract

To differentiate the potential of graphene sensors, research into how the grafted particles interact with the graphene sheet is essential. We employed calculations based on the "density functional theory DFT,"to analyze the characteristics of native and Pt-grafted graphene sheets with NH3 gas adsorption on their surface. Our goal is to determine how will the material may serve as a gas sensor. Increased charge transfer was seen after NH3 gas molecules were adsorbed on the surface of Pt-decorated graphene that was significantly larger, smaller intermolecular distance, and had higher orbital hybridization as compared to virgin graphene. also, that they showed excellent sensitivity to ammonia (NH3) at room temperatures.