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

Autor: 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.
Zdroj: In Materials Chemistry and Physics 1 November 2023 309
Databáze: ScienceDirect