Aqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles. (February 2019)

• Record Type: Journal Article
• Authors: Yuwono, Jodie A.; Birbilis, Nick; Taylor, Christopher D.; Williams, Kristen S.; Samin, Adib J.; Medhekar, Nikhil V.
• Is Part Of: Corrosion science. Volume 147(2019)
• Page Start: 53
• Page End: 68
• Publication Date: 2019-02
• Subjects: Magnesium -- Electrochemistry -- Corrosion -- Negative difference effect NDE -- Surface film -- Density functional theory DFT; Corrosion and anti-corrosives -- Periodicals; 620.11223
• DOI: 10.1016/j.corsci.2018.10.014
• Languages: English
• ISSNs: 0010-938X

Abstract

Graphical abstract: Highlights: The Heyrovsky pathway is the most dominant mechanism of HERon Mg surface. The preservation of active sites is essential for maintaining continuous interfacial reactions. The formation of films and the decrease of water molecule networks correspond to an enhanced catalytic activity on Mg surface. Abstract: In this study, first-principles density functional theory (DFT) calculations are performed to investigate the contribution of each individual reaction at the magnesium/water interface. Thermodynamic and kinetic models derived from the DFT-calculated parameters are used to describe interdependent reactions at the interface and the resultant magnesium electrochemical activity at different pH and potentials. These models are able to rationalise experimental findings, such as those obtained from polarisation and immersion tests, and provide new insights for defining a complete and viable mechanism of aqueous magnesium electrochemistry.