In silico design and analysis of Pt functionalized graphene-based FET sensor for COVID-19 biomarkers: A DFT coupled FEM study

Abstract

In this study, a backend gate GFET based sensor for the detection of COVID-19 via volatile organic compound biomarkers is designed and simulated. Graphene as the channel of the device is used as an adsorbing site for a biomarker, ethyl butyrate and the effect of the adsorption on the transport characteristics of the device is used as a sensing parameter. Functionalization of graphene with Platinum ameliorates the enticement between the biomarker and the host material calculated via adsorption energy. Density Functional Theory (DFT) is used to calculate the electronic and surface properties of the channel of the device, with and without adsorption of the biomarker. The calculated characteristic properties of the channel are used to figure out the transport properties of the device through COMSOL Multiphysics. Results show that adsorption of the biomarker on the functionalized graphene changes the dynamics of the charge carriers (via electronic properties) and results in variation in the transport properties of the device after adsorption of biomarker, making the device compatible for detection of COVID-19. • An alternative approach to sensing COVID-19 through breath borne volatile organic compound biomarkers. • Platinum functionalized graphene is investigated for sensing COVID-19 biomarkers. • Interaction between biomarker and Platinum functionalized graphene is calculated via surface and electronic properties. • Characterization of Platinum functionalized graphene-based FET is done with its sensing functionalities toward biomarkers.