期刊
APPLIED SURFACE SCIENCE
卷 540, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2020.148365
关键词
Oxide-metal composite; Cisplatin; Interface; Potential energy profile; Electronic properties
类别
资金
- National Natural Science Foundation of China (NSFC) [21375092, 21976129, 21575097]
- Science and Technology Planning Project (Taizhou Science and Technology Bureau) [1901GY21]
- Chemical Engineering & Technology of Zhejiang Province First-Class Discipline (Taizhou University)
- Scientific Research Cultivation Project (Taizhou University) [2018PY023]
This study systematically investigated the adsorption behavior of coordination complex on metal-supported oxide film for the first time, examining the interaction between cisplatin and magnesia/gold-supported magnesia. Various characterization techniques were utilized to reveal the structural features and electronic properties of cisplatin chemisorption on magnesia-gold hybrid structure.
As far as we know, the adsorption behavior of coordination complex on metal-supported oxide film has never been systematically investigated before, which obstructs the rational design and functional application of inverse composite catalyst toward chemisorbing substances with coordination bonds. In clinical practice and experiments, magnesia has been used together with cisplatin for intravenous magnesium supplementation, to reduce the side effects of cisplatin. In this contribution, interaction profile between cisplatin anticancer drug with magnesia and gold-supported magnesia is elucidated for the first time utilizing periodic density functional theory (DFT) calculations with dispersion corrections. Equilibrium geometries, translation potential profile, differential charge density contour, particular occupied orbitals, projected density of states and electron localization function are characterized to reveal the structural features and electronic properties of cisplatin chemisorption on magnesia-gold hybrid structure. It is anticipated that the interaction mechanism of cisplatin with inert and nontoxic magnesia film could provide useful clue for novel application of oxide-metal composite constructed by depositing oxide film on metallic slab toward chemisorbing and treating coordination compounds.
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