文献类型：期刊文献

英文题名：A density functional theory study on detection of amphetamine drug by silicon carbide nanotubes

作者：Yang, Yuping[1];Sun, Aili[1];Eslami, Majid[2]

通讯作者：Yang, YP[1]

机构：[1]Xinxiang Univ, Sch Pharm, Xinxiang 450003, Henan, Peoples R China;[2]Semnan Univ Med Sci, Canc Res Ctr, Semnan, Iran

第一机构：新乡学院

通讯机构：[1]corresponding author), Xinxiang Univ, Sch Pharm, Xinxiang 450003, Henan, Peoples R China.|[11071]新乡学院;

年份：2021

卷号：125

外文期刊名：PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

收录：;EI(收录号：20203409068156);Scopus(收录号：2-s2.0-85089515965);WOS:【SCI-EXPANDED(收录号:WOS:000573541500001)】；

基金：This work was supported by the Key Scientific and Technological Research Project of Henan Province: Rapid detection of two tumor markers of small cell lung cancer protein nano immune sensing research at the same time (Grant No.: 202102310298).

语种：英文

外文关键词：Silicon carbide nanotube; Drug; Density functional theory; Sensor

摘要：Recognition and management of illegal drugs is of considerable interest because of the dramatic results of their abuse. Amphetamine (AN) is a popular drug of abuse and its recognition in the biological samples is of great importance for drug communities and the police. Here, we considered the AN drug adsorption on the (12,0) zigzag intrinsic and Pt-decorated SiC nanotubes (Pt@SiCNTs), in order to inspect their potential application as drug sensing material, by TPSS density functional. We found that the intrinsic SiCNT weakly interacted with the AN drug and cannot recognize it. In order to solve this problem, we decorated the SiCNT surface by Pt atoms. The Pt preferentially attaches to a carbon atom, releasing the energy of 3.02 eV. The AN drug adsorbed via its phenyl ring on the Pt atom forming an eta(6)-Pt half-sandwich structure with binding energy (BE) of -1.49 eV. The sensing response of SiCNT obviously elevated from 4.8 to 190.1 by the Pt decoration. A short recovery time of 1.03 s was also obtained for the AN drug desorption. Water solvent increased the BE or sensing response to -1.63 eV or 240.4. Our results propose the Pt@SiCNT as a favorable sensing device for AN detection.