Department of Chemistry, Payame Noor University, Tehran, Iran.
School of Chemistry, Shahrood University of Technology, Shahrood, Iran.
Talanta. 2017 Jan 1;162:505-510. doi: 10.1016/j.talanta.2016.10.010. Epub 2016 Oct 6.
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 C fullerene and graphene segment as a sensor. To find the selectivity of this nano-sized segment in sensing ozone (O), compared to the usual chemically active gasses of the troposphere like O, N, CO, HO, CH, H, 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 C 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/=0.016eV) (at the first adsorption step the /ΔE/ is 0.00eV).
臭氧是形成地球大气层中一层的关键物种，为我们的星球带来生命，并支持复杂的生命。这种三原子分子在臭氧层中，通过保护地球免受太阳危险射线的伤害来修复地球的生态系统。直到这个分子在平流层中，它才会支持生命的自然秩序；但是，当它出现在我们的环境中时，损害就会开始降临到我们身上。在这个项目中，我们试图通过 C 富勒烯和石墨烯段作为传感器的物理吸附来寻找一种在我们的环境中标记臭氧物种的新方法。为了找到这个纳米尺寸段在感测臭氧（O）方面的选择性，与通常的对流层中化学活性气体如 O、N、CO、HO、CH、H 和 CO 相比，分析了每个相互作用物种的态密度（DOS）图。结果表明，臭氧可以显著改变 C 富勒烯的电导率，对于每个吸附步骤。因此，这个富勒烯可以在不同的吸附步骤中清楚地感测臭氧；而，石墨烯段只能在第二步吸附（/ΔE/=0.016eV）时这样做（在第一步吸附时，/ΔE/为 0.00eV）。
