Possibility of sensing, adsorbing, and destructing the Tabun-2D-skeletal (Tabun nerve agent) by C20 fullerene and its boron and nitrogen doped derivatives

被引：90

作者：

Siadati, Seyyed Amir ^{[1
]}

Vessally, Esmail ^{[2
]}

Hosseinian, Akram ^{[3
]}

Edjlali, Ladan ^{[4
]}

机构：

[1] Shahrood Univ Technol, Sch Chem, Shahrood, Iran

[2] Payame Noor Univ, Dept Chem, Tehran, Iran

[3] Univ Tehran, Dept Engn Sci, Coll Engn, Tehran, Iran

[4] Islamic Azad Univ, Tabriz Branch, Dept Chem, Tabriz, Iran

来源：

SYNTHETIC METALS | 2016年 / 220卷

关键词：

Tabun; Nerve agent; C-20; fullerene; Electrical conductivity; Nano sized sensor; Doping; DIELS-ALDER;

D O I：

10.1016/j.synthmet.2016.08.003

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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 C-20 fullerene and its boron and nitrogen doped derivatives. Moreover, by using the density of state DOS plots, the changes of electrical conductivity of C-20 fullerene both in presence and in absence of Tabun gas were investigated to know is C-20 fullerene able to be used as a sensor for detecting the existence of this species? (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：606 / 611

页数：6

共 22 条

[1] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].