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Publications
Article
Phosphonic acid-functionalized g-C3N4 nanosheets for chromium (Cr6+) adsorption from aqueous solutions: Experimental insights and density functional theory calculations
Article
First-principles design of GaN–VHC (H = Cl, Br; C = Se, Te) van der Waals heterostructures for advanced optoelectronic applications
Article
Magnetoelectric and spin-lattice effects in Fe/BaTiO3 heterostructure: non-collinear DFT calculations
Article
A DFT study on an 18-crown-6-like-N8 structure as a material for metal ion storage: stability and performance
Article
Realization of Mn6+NIR-II broadband emission in BaCrO4 and its nanolization via liquid-solid method
Article
DFT analysis of furan-based covalent organic framework as electrode materials for lithium and calcium ion batteries
Article
Design and strain engineering of stable 2D TiSi₂N₄ photocatalyst: first-principles insights into water splitting and visible-light absorption
