Author(s): Tarun T; Singh P; Kaur H; Walia GK; Randhawa DKK; Choudhary BC;

Density functional theory-based first-principles investigation is performed on pristine and mono vacancy induced GaAs nanoribbons to detect the presence of three volatile organic compounds (VOCs), aniline, isoprene and o-toluidine, which will aid in sensing lung cancer. The study has shown that pristine nanoribbon senses all three analytes. For the pristi ...

Article GUID: 34459994

Author(s): Singh P, Abedini Sohi P, Kahrizi M

In this work, we have designed and simulated a graphene field effect transistor (GFET) with the purpose of developing a sensitive biosensor for methanethiol, a biomarker for bacterial infections. The surface of a graphene layer is functionalized by manipulation of its surface structure and is used as the channel of the GFET. Two methods, doping the crysta ...

Article GUID: 33467459

Author(s): Tarun T, Randhawa DKK, Singh P, Choudhary BC, Walia GK, Kaur N

J Mol Model. 2020 Feb 27;26(3):63 Authors: Tarun T, Randhawa DKK, Singh P, Choudhary BC, Walia GK, Kaur N

Article GUID: 32108912

Author(s): Singh P, Randhawa DKK, Tarun, Choudhary BC, Walia GK, Kaur N

J Mol Model. 2019 Dec 13;26(1):4 Authors: Singh P, Randhawa DKK, Tarun, Choudhary BC, Walia GK, Kaur N

Article GUID: 31834483