title: Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C20fullerene and graphene segment.
abstract: 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 C20fullerene 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 C20fullerene, 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 (/ΔEg-B/=0.016eV) (at the first adsorption step the /ΔEg-A/ is 0.00eV).
authors.affiliation: Department of Chemistry, Payame Noor University, Tehran, Iran. Electronic address: Vessally@yahoo.com.
authors.forename: Esmail
authors.initials: E
authors.lastname: Vessally
authors.affiliation: School of Chemistry, Shahrood University of Technology, Shahrood, Iran. Electronic address: Chemistry_2021@yahoo.com.
authors.forename: Seyyed Amir
authors.initials: SA
authors.lastname: Siadati
authors.affiliation: Department of Engineering Science, College of Engineering, University of Tehran, Tehran, Iran.
authors.forename: Akram
authors.initials: A
authors.lastname: Hosseinian
authors.affiliation: Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, Iran.
authors.forename: Ladan
authors.initials: L
authors.lastname: Edjlali
keywords: C(20) fullerene; DOS spectrums; Graphene segment; Ozone; Physical adsorption; Troposphere