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.
| Original language | British English |
|---|---|
| Article number | 151579 |
| Journal | Applied Surface Science |
| Volume | 573 |
| DOIs | |
| State | Published - 30 Jan 2022 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 3 Good Health and Well-being
Keywords
- 2D Materials
- Electron Localization Function (ELF)
- First-principles Calculations
- Glucose Sensor
- Nitrogenated Holey Graphene
- Non-equilibrium Green's function (NEGF)
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