Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/3324
Title: Two-dimensional nitrogenated holey graphene (C2N) monolayer based glucose sensor for diabetes mellitus
Authors: Panigrahi, P.
Sajjad, M.
Singh, D.
Hussain, T.
Andreas, L. J.
Ahuja, R.
Singh, N.
Keywords: Glucose Sensor
Nitrogenated Holey Graphene
2D Materials
Electron Localization Function (ELF)
First-principles Calculations
Non-equilibrium Green’s function (NEGF)
Issue Date: 19-Dec-2021
Abstract: Real-time monitoring of sugar molecules is crucial for diagnosis, controlling, and preventing diabetes. Here, we have proposed the potential of porous C2N monolayer-based glucose sensor to detect the sugar molecules (glucose, fructose, and xylose) by employing the van der Waals interactions corrected first-principles density functional theory and non-equilibrium Green’s function methods. The binding energy turns out to be − 0.93 (− 1.31) eV for glucose, − 0.84 (− 1.23) eV for fructose, and − 0.81 (− 1.30) eV for xylose in gas phase (aqueous medium). The Bader charge analysis reveals that the C2N monolayer donates charge to the sugar molecules. The dimensionless electron localization function highlights that glucose, fructose, and xylose bind through physisorption. The adsorption of sugar molecules on the C2N monolayer increases the workfunction compared to 3.54 eV (pristine C2N) with about 2.00 eV, indicating a suppressed probability of electron mobility. The electronic transport properties of C2N based device reveals distinct characteristics and zero-bias transmissions. The distinctive properties of the C2N monolayer can be indexed as promising identifiers for glucose sensors to detect blood sugar
URI: http://localhost:8080/xmlui/handle/123456789/3324
Appears in Collections:Year-2022

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