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In silico design and analysis of Pt functionalized graphene-based FET sensor for COVID-19 biomarkers: A DFT coupled FEM study
Physica E: Low-dimensional Systems and Nanostructures ( IF 3.3 ) Pub Date : 2021-09-11 , DOI: 10.1016/j.physe.2021.114972
Paramjot Singh 1 , Parsoua Abedini Sohi 1 , Mojtaba Kahrizi 1
Affiliation  

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.



中文翻译:

用于 COVID-19 生物标志物的 Pt 功能化石墨烯基 FET 传感器的计算机设计和分析:DFT 耦合 FEM 研究

在这项研究中,设计并模拟了一种基于后端门 GFET的传感器,用于通过挥发性有机化合物生物标志物检测 COVID-19。石墨烯作为器件的通道被用作生物标志物丁酸乙酯的吸附位点,吸附对器件传输特性的影响被用作传感参数。石墨烯与铂的功能化改善了生物标志物和通过吸附能计算的主体材料之间的吸引力。密度泛函理论 (DFT) 用于计算设备通道的电子和表面特性,无论是否吸附生物标志物。通过 COMSOL Multiphysics,计算出的通道特征属性用于计算设备的传输属性。结果表明,生物标志物在功能化石墨烯上的吸附改变了电荷载流子的动力学(通过电子特性),并导致生物标志物吸附后设备的传输特性发生变化,使该设备兼容 COVID-19 的检测。

更新日期:2021-09-14
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