| This article aims to assess a graphitic-like monolayer boron nitride (B7N6) nanosheet as an effective adsorbent for pollutants in water, including organic molecules of CH3OH, CHBr2, NaOH, and NH3. The changes of charge density (Q) have shown a more important charge transfer toward B7N6 nanosheet, which acts as the electron acceptor, while CH3OH, CHBr2, NaOH, and NH3 molecules act as the electron donors. Based on Nuclear quadrupole resonance (NQR) analysis, B7N6 nanosheet represents enough capability for adsorbing CH3OH, CHBr2, NaOH, and NH3 through electric potential values of hydrogen, carbon, nitrogen, oxygen, bromine, and boron atoms during adsorption of organic molecules (adsorbates) on B7N6 nanosheet (adsorbent). NMR spectroscopy exhibited the remarkable peaks around carbon, nitrogen, oxygen, and bromine atoms through the adsorption procedure of CH3OH, CHBr2, NaOH, and NH3 on the B7N6 nanosheet, with the fluctuations in the chemical shielding behaviors of isotropic and anisotropic attributes. All the measured thermodynamic parameters extracted from IR spectra have exhibited the most stable energy for CHBr2 and CBr2-- B7N6. This work can evaluate the adsorption of different organic contaminants of CH3OH, CHBr2, NaOH, and NH3 on the B7N6-based nanosheet and, correspondingly, can introduce helpful information for using this nanomaterial in water treatment. This approach can support the safe and sustainable evolution of smart water instruments. |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
