Aqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles

Jodie A. Yuwono, Nick Birbilis, Christopher D. Taylor, Kristen S. Williams, Adib J. Samin, Nikhil V. Medhekar

Research output: Contribution to journalArticleResearchpeer-review

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.

Original languageEnglish
Pages (from-to)53-68
Number of pages16
JournalCorrosion Science
Volume147
DOIs
Publication statusPublished - 1 Feb 2019

Keywords

  • Corrosion
  • Density functional theory DFT
  • Electrochemistry
  • Magnesium
  • Negative difference effect NDE
  • Surface film

Cite this

Yuwono, Jodie A. ; Birbilis, Nick ; Taylor, Christopher D. ; Williams, Kristen S. ; Samin, Adib J. ; Medhekar, Nikhil V. / Aqueous electrochemistry of the magnesium surface : Thermodynamic and kinetic profiles. In: Corrosion Science. 2019 ; Vol. 147. pp. 53-68.
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Aqueous electrochemistry of the magnesium surface : Thermodynamic and kinetic profiles. / Yuwono, Jodie A.; Birbilis, Nick; Taylor, Christopher D.; Williams, Kristen S.; Samin, Adib J.; Medhekar, Nikhil V.

In: Corrosion Science, Vol. 147, 01.02.2019, p. 53-68.

Research output: Contribution to journalArticleResearchpeer-review

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AU - Birbilis, Nick

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AU - Medhekar, Nikhil V.

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KW - Density functional theory DFT

KW - Electrochemistry

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