Aqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles

• DOI: 10.1016/j.corsci.2018.10.014
• Publication Date: 2018-10-16T16:15:16Z
• Authors: Jodie A. Yuwono; Nick Birbilis; Christopher D. Ta...; Kristen S. Williams; Adib J. Samin; Nikhil V. Medhekar
• Keywords: Corrosion; Surface film; Electrochemistry; 0202 electrical engineering, electronic engineering, information engineering; Magnesium; Density functional theory DFT; 02 engineering and technology; 541; Negative difference effect NDE

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.