Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View

Abstract

The interaction of α-glucose with a BN-nanosheet, BN-nanotube, and BN-fullerene, was analyzed from an atomistic and electronic point of view, to evaluate such nanostructures as possible carriers and/or biosensors of the α-glucose molecule. Adsorption energies are in the range of physisorption (À 0.79 eV to À 0.91 eV) for the BN-nanosheet and -nanotube, and chemisorption (À 2.24 eV to À 2.35 eV), for the BN-fullerene. All systems, exhibit semiconductor-like behavior and great stability according to j LUMO-HOMO j energy gap [Gap LH ] and chemical potential values, respectively. For the BN-nanosheet and -nanotube, the stabilization of the complexes is through hydrogen bonds, while for BN-fullerene is through a covalent bond and charge transfer. Furthermore, the BN-fullerene is able to dissociate the α-glucose molecule, which could help to decomposer such a compound, and be used for biological applications. The data taking into consideration solvent effects have no significant impact with respect to gas phase, except in the dipole moment (M d ) where we noticed an increase up to ~45 %. Our results suggest that BN-nanosheet and -nanotube, may act as biosensors, while BN-fullerene, may serve as a carrier or degrader of the α-glucose molecule.

Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO2, CO, H2S, HF and NO. A DFT study

“…The final structure remained highly stable and the good thing was that the electronic property of physisorbed system has shown semiconducting nature. 18 However, findings extracted from previous literature manifest that intrinsic hBN based gas sensors have no satisfactory results i.e. instantaneous recovery, slow response and poor selectivity.…”

Adsorption of NO2, NO, NH3, and CO on Noble Metal (Rh, Pd, Ag, Ir, Pt, Au)-Modified Hexagonal Boron Nitride Monolayers: A First-Principles Study

“…In Table S1, compared with BN (according to literature reports, the dipole moment of BN is 0D 47,48 ), M-BN exhibits a larger dipole moment, indicating an increase in polarity. 49,50 As shown in Figure 2, the adsorption structures of Rh, Pd, Ag, Ir, Pt, and Au on the N-site, with distances to the BN surface of 1.928, 2.084, 2.825, 2.152, 2.171, and 2.431 Å, respectively. The three metals of Rh, Pd, and Ag lose electrons as electron donors in the adsorption systems (−0.070, −0.024, and −0.004 e, respectively), where Ir, Pt, and Au accept electrons as electron acceptors (0.074, 0.168, and 0.080 e).…”

Graphene and Two-Dimensional Materials-Based Flexible Electronics for Wearable Biomedical Sensors

“…We have briefly gone over some of the electrical and optical properties of 2D materials (graphene, TMDC, LMOC, monochalcogenide, and layered perovskite). Many other characteristics in addition to the aforementioned properties make 2D materials suitable for applications such as FETs, solar cells, photodetectors, and emerging next-generation electronics platforms [94][95][96][97][98][99][100][101][102][103][104][105].…”