Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C₂₀ fullerene and graphene segment

OZONE is a key species in forming a layer in the atmosphere of earth that brings vita for our planet and supports the complex life. This three-atom molecule in the ozone-layer, is healing the earth's ecosystem by protecting it from dangerous rays of the sun. Until this molecule is in the stratosphere, it would support the natural order of the life; but, when it appears in our environment, damages will begin against us. In this project, we have tried to find a new way for beaconing ozone species in our environment via physical adsorption by the C₂₀ fullerene and graphene segment as a sensor. To find the selectivity of this nano-sized segment in sensing ozone (O₃), compared to the usual chemically active gasses of the troposphere like O₂, N₂, CO₂, H₂O, CH₄, H₂, and CO, the density of state (DOS) plots were analyzed, for each interacting species. The results showed that ozone could significantly change the electrical conductivity of C₂₀ fullerene, for each adsorption step. Thus, this fullerene could clearly sense ozone in different adsorption steps; while, the graphene segment could do this only at the second step adsorption (/ΔE_g-B/=0.016eV) (at the first adsorption step the /ΔE_g-A/ is 0.00eV).