170
S. Majidi et al.
Fig. 3 Schematics and diameters of the a N3, b N4, c N5, d B3, e B4, and f B5 pores of the h-BN
membranes. g Illustration of a simulation box for the N4 membrane, where the blue shade shows
the water molecules. The figure is adapted with permission from the American Chemical Society
[72]
water modeling. Excellent permeability, selectivity, and controllability were seen
due to the rationally h-BN membrane’s design. Indeed, the results demonstrated that
the water flux and salt rejection can be regulated by pore size, edge chemistry, and
applied pressure. Figure 4 exhibits that the net passed water molecules increases by
increasing external pressure and the pore size. And the water permeability was higher
for the system including only N atoms at the pore edge compared to the boron-edged
system.
S. Majidi et al.
Fig. 3 Schematics and diameters of the a N3, b N4, c N5, d B3, e B4, and f B5 pores of the h-BN
membranes. g Illustration of a simulation box for the N4 membrane, where the blue shade shows
the water molecules. The figure is adapted with permission from the American Chemical Society
[72]
water modeling. Excellent permeability, selectivity, and controllability were seen
due to the rationally h-BN membrane’s design. Indeed, the results demonstrated that
the water flux and salt rejection can be regulated by pore size, edge chemistry, and
applied pressure. Figure 4 exhibits that the net passed water molecules increases by
increasing external pressure and the pore size. And the water permeability was higher
for the system including only N atoms at the pore edge compared to the boron-edged
system.