Adsorption of Carbon Monoxide on Multilayered Graphene

Abstract

Graphene as a two-dimensional carbon allotrope is gaining attention due to its unique structure and surface properties. Air Pollution is one of the most serious problems in the environment that affects human health. At present, there has been a lot of research to remove the particulate matter (PM) particles having a size of 2.5 microns or less in diameter. The graphene sheets are considered as one of the excellent adsorbents on pollutant particles due to their large specific surface area and strong π- π interactions. The introduction of pores can provide improved electronic conduction. The purpose of this work is to demonstrate the impact of adsorption for different pollutant gas that affects the electronic and structural properties of graphene. The results indicate that there is a significant amount of charge transfer that happens between the porous graphene sheets and the carbon monoxide (CO) molecules resulting in chemisorption. The electronic properties of the porous graphene sheet demonstrate a strong dependence on the number of layers and the distance of the oxygen atom from the graphene sheet. Due to a decrease in the distance, the porous bilayer graphene exhibits almost 2 times higher adsorption energy than the monolayer structure.