WebFeb 25, 2024 · Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. ... Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, ... WebApr 10, 2024 · Context In this study, the electronic transport of (6, 3) two side-closed single-walled boron nitride nanotubes ((6, 3) TSC-SWBNNTs) located between two electrodes of (5, 5) conductive carbon nanotubes is investigated. Introducing carbon impurities instead of nitrogen and boron atoms in different locations of two side-closed (6, 3) SWBNNTs …
Applied Sciences Free Full-Text Boron Nitride Nanotubes for
WebNov 1, 2024 · Density functional theory (DFT) calculations were performed to calculate nitrogen-14 and boron-11 nuclear quadrupole resonance (NQR) spectroscopy parameters in the representative considered... WebAbstract. Herein we have made a comparative study of the efficiency of three different … chinese anxiety medicine
Interaction of propylthiouracil, an anti-thyroid drug with boron ...
WebApr 15, 2024 · DFT calculations have shown that the nanoflakes have HOMO–LUMO … WebJan 15, 2024 · DFT; boron nitride nanotube; armchair; curcumin; adsorption; HOMO–LUMO analysis; bioavailability 1. Introduction Non-carbon nanostructures, as well as BNNTs, have attracted a lot of attention due to their thermal and chemical stability, together with their mechanical properties [ 1 ]. WebMar 1, 2024 · In the pristine nanotube, the bonding angles at the B site, sitting on one boron atom (Fig. 1 a), are: θ 1 B 2 = 119.5, θ 1 B 3 = 120.8 and θ 2 B 3 = 120.6. The B–N bonding length is 1.46 Å. In the case of doping TM on the B site, the bonding lengths approximately increase by 0.35 Å. This bonding length is equal to 1.81 Å For all cases. grand central observation deck