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Being critical to achieving Sustainable Development Goals (SDGs) of the United Nations, strengthening understanding of the properties and processes of soil at national and regional scales is imperative. The target of this research is removing transition metals of Cr, Mn, Fe, Zn, W, Cd from soil due to nanomaterial-based boron nitride nanocage (B₅N₁₀-nc). The electromagnetic and thermodynamic attributes of toxic transition metals trapped in B₅N₁₀-nc were depicted by materials modeling. It has been studied the behavior of trapping of Cr, Mn, Fe, Zn, W, and Cd by B₅N₁₀-nc for sensing the soil metal cations. B₅N₁₀-nc was designed in the existence of transition metals (Cr, Mn, Fe, Zn, W, Cd). Case characterization was performed by the DFT method. The nature of covalent features for these complexes has represented the analogous energy amount and vision of the partial density of states between the p states of boron and nitrogen in B₅N₁₀-nc with and d states of Cr, Mn, Fe, Zn, W, Cd in X↔B₅N₁₀-nc complexes. Furthermore, the nuclear magnetic resonance (NMR) analysis indicated the notable peaks surrounding Cr, Mn, Fe, Zn, W, and Cd through the trapping in the B₅N₁₀-nc during atom detection and removal from soil; however, it can be seen some fluctuations in the chemical shielding treatment of isotropic and anisotropy tensors. Based on the results in this research, the selectivity of toxic metal, metalloid and nonmetal elements adsorption by B₅N₁₀-nc (atom sensor) have been indicated as: Cd > Zn > Fe > Cr > Mn ≈ W. In this article, it is proposed that toxic metal, metalloid and nonmetal elements–adsorbed might be applied to design and expand the optoelectronic specifications of B₅N₁₀-nc for generating photoelectric instruments toward soil purification. The progress in surface selectivity improvement, mainly including a number of approaches such as crosslinking, nanoparticle doping, surface modification, and the use of unique synthetic methods, is summarized. These approaches are promising for ion-exchange membrane synthesis for electrodialysis, alternative energy, and valuable component extraction from natural or contaminated soil.
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Fatemeh Mollaamin (2025) studied this question.
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