Funct. Mater. 2025; 32 (2): 306-314.

doi:https://doi.org/10.15407/fm32.02.306

Evaluation of selectivity and sensitivity of gallium nitride nanosensor for grabbing metal/metalloid ions (Na⁺, K⁺, Sn²⁺, Pb²⁺, Al³⁺) from water: materials modelling approach towards environmental treatment

Fatemeh Mollaamin

Department of Biomedical Engineering, Faculty of Engineering and Architecture, Kastamonu University, Kastamonu, Turkey

Abstract:

The goal of this research is selecting metal/metalloid ions of (Na⁺, K⁺, Sn²⁺, Pb²⁺, Al³⁺) from water due to nanomaterial-based gallium nitride nanocage (Ga–N). Ga–N was modeled in the presence of metal/metalloid cations (Na⁺, K⁺, Sn²⁺, Pb²⁺, Al³⁺). Moreover, the results of chemical shielding calculations exhibited remarkable fluctuations in the metal elements Na⁺, K⁺, Sn²⁺, Pb²⁺, Al³⁺ due to the capture of Ga–N in the periodic framework of H₂O molecules. This research work confirms the selectivity of metal ion capture by Ga–N nanodetector as: K⁺> Na⁺>>> Sn²⁺ ≈ Pb²⁺ > Al³⁺. Finally, it has been shown that for a given number of N-donor sites in the Ga–N nanosensor, the stabilities of monovalent (M⁺), divalent (M²⁺) and trivalent (M³⁺) cation complexes are K⁺↔ Ga–N > Na⁺↔ Ga–N >>> Sn²⁺↔ Ga–N ≈ Pb²⁺↔ Ga–N > Al³⁺↔ Ga–N.

Keywords:

Metal/loid ion selection; water purification, Ga–N; nanomaterials application.

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Funct. Mater. 2025; 32 (2): 306-314.