Abstract

TABUN nerve agent has taken hundreds thousands of lives during the last century. This chemical warfare was widely used against peoples in many areas of the world, and brought painful death for the victims. Therefore, this hazardous gas has been known as one of the most important chemical agents for the crime of mass killing.Following efforts of many researchers throughout the worlds to control the unwanted effects of mass killing warfares, in this project, we have made efforts of find a way to inactive this dangerous species by adsorption of this molecule by C20 fullerene and its boron and nitrogen doped derivatives. Moreover, by using the density of state DOS plots, the changes of electrical conductivity of C20 fullerene both in presence and in absence of Tabun gas were investigated to know is C20 fullerene able to be used as a sensor for detecting the existence of this species?

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