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Graphene oxide nanoplatforms reduction by green plant-sourced organic compounds for construction of an active anti-corrosion coating; experimental/electronic-scale DFT-D modeling studies

Mohammadkhani, R ; Sharif University of Technology | 2020

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  1. Type of Document: Article
  2. DOI: 10.1016/j.cej.2020.125433
  3. Publisher: Elsevier B.V , 2020
  4. Abstract:
  5. In this study, the Peganum harmala seed extract (PHSE) was used as a green reducing agent of graphene oxide with high deoxygenation capability. PHSE not only acts as a reducing agent of GO due to the high amount of nitrogen-rich compounds but also plays an essential role in the particles' active anti-corrosion performance improvement. In order to add more active inhibition property, the zinc cations were doped successfully on the chemical structure of GO nanosheets, and eventually, the RGO-PHSE-Zn nanocomposite was obtained. The FT-IR results and UV–visible achievements declared that the epoxide (-C-O-C-) functional groups attached to the surface of the GO nanosheets had been successfully reduced in the presence of PHSE. The EIS analysis was also performed to assess the RGO-PHSE-Zn anti-corrosion effects in the solution phase (NaCl 3.5 wt%) and epoxy matrix. Results disclosed that through the incorporation of RGO-PHSE-Zn particles into the epoxy film, not only the barrier action but also the active self-healing anti-corrosion properties of the coating was significantly improved. © 2020 Elsevier B.V
  6. Keywords:
  7. DFT-D modeling ; Green synthesis of RGO ; Hydrazine hydrate ; Peganum harmala seed extract ; Raman ; Sustainable/bio-active compounds ; Corrosive effects ; Electrochemical corrosion ; Graphene ; Nanosheets ; Sodium chloride ; Zinc compounds ; Anti-corrosion ; Anti-corrosion coating ; Anti-corrosion property ; Anticorrosion performance ; Epoxy matrices ; Inhibition property ; Nitrogen-rich compounds ; Solution phase ; Corrosion resistant coatings
  8. Source: Chemical Engineering Journal ; Volume 397 , 1 October , 2020
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S138589472031425X