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

Post time 2024-6-4 14:32:03

journal：Materials Chemistry and Physics

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

Published date：2023-11-

DOI：10.1016/j.matchemphys.2023.128364

PDF link：https://www.sciencedirect.com/sc ... 254058423010726/pdf

Article link：http://dx.doi.org/10.1016/j.matchemphys.2023.128364

Article Source：Elsevier BV。

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[Elsevier] 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

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[Elsevier] 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 Copy

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[Elsevier] 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