Revealing the effect of Co/Cu (d7/d9) cationic doping on an electronic acceptor ZnO nanocage surface for the adsorption of citric acid, vinyl alcohol, and sulfamethoxazole ligands: DFT-D3, QTAIM, IGM-NCI, and MD analysis

Gassoumi, B. ; Ahmed Mahmoud, A.M. ; Nasr, S. ; Karayel, A. ; Özkınalı, S. ; Castro, M.E. ; Melendez, F.J. ; Mahdouani, M. ; Nouar, L. ; Madi, F. ; Ghalla, H. ; Bourguiga, R. ; Ben Chaabane, R. ; Zhou, Y.

Materials chemistry and physics, 2023-11, Vol.309, p.128364, Article 128364 [Periódico revisado por pares]

Elsevier B.V

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