4.5 Article

Multidimensional insights into the corrosion inhibition of potassium oleate on Cu in alkaline medium: A combined Experimental and theoretical investigation

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ELSEVIER
DOI: 10.1016/j.mseb.2021.115330

关键词

Corrosion inhibitor; Copper; Quantum chemical calculation; Molecular dynamics

资金

  1. Major National Science and Tech-nology Special Projects [2016ZX02301003004007]
  2. national natural Science Foundation, China [61704046]
  3. Natural Science Foundation of Hebei Province, China
  4. Natural Science Founda-tion of Hebei Province, China [F2018202174, F2018202133]

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The study investigated the performance and mechanism of potassium oleate as a corrosion inhibitor for copper, showing an inhibition efficiency of approximately 98.24% in an alkaline environment. The adsorption films of potassium oleate exhibit excellent physical and chemical properties, effectively inhibiting the corrosion circumstance of copper in alkaline medium.
The application of corrosion inhibitors is one of the most effective methods developed to inhibit the corrosion of Cu interconnects. The performance of potassium oleate (PO) as a potential corrosion inhibitor for copper in EDTA-H2O2 based solution was examined under alkaline environment. The inhibition efficiency and mechanism were studied by electrochemical characterization, surface morphology technology and molecular computing technology. Firstly, the water solubility and toxicity of PO were comprehensively evaluated. The results of electrochemical assessment manifest that the corrosion inhibition efficiency of PO for Cu can reach approximately 98.24%, even at relatively low concentration of PO (0.01 wt%), additionally, PO is a mixed-type corrosion inhibitor, which can effectively inhibit the corrosion circumstance of Cu in alkaline medium. These excellent performances are attributed to the physical and chemical properties of PO adsorption films formed by PO, which follows the Langmuir adsorption isotherm. Besides, Density Functional Theory (DFT) and molecular dynamics (MD) approaches were introduced to explore the most stable adsorption configuration and the most active adsorption sites.

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