Aqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles

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dc.contributor.authorYuwono, J.A.
dc.contributor.authorBirbilis, N.
dc.contributor.authorTaylor, C.D.
dc.contributor.authorWilliams, K.S.
dc.contributor.authorSamin, A.J.
dc.contributor.authorMedhekar, N.V.
dc.date.issued2019
dc.description.abstractIn 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.
dc.description.statementofresponsibilityJodie A. Yuwono, Nick Birbilis, Christopher D. Taylor, Kristen S. Williams, Adib J. Samin, Nikhil V. Medhekar
dc.identifier.citationCorrosion Science, 2019; 147:53-68
dc.identifier.doi10.1016/j.corsci.2018.10.014
dc.identifier.issn0010-938X
dc.identifier.issn1879-0496
dc.identifier.orcidYuwono, J.A. [0000-0002-0915-0756]
dc.identifier.urihttps://hdl.handle.net/2440/137240
dc.language.isoen
dc.publisherElsevier BV
dc.relation.granthttp://purl.org/au-research/grants/arc/DP160103661
dc.rights© 2018 Elsevier Ltd. All rights reserved.
dc.source.urihttps://doi.org/10.1016/j.corsci.2018.10.014
dc.subjectMagnesium; Electrochemistry; Corrosion; Negative difference effect NDE; Surface film; Density functional theory DFT
dc.titleAqueous electrochemistry of the magnesium surface: Thermodynamic and kinetic profiles
dc.typeJournal article
pubs.publication-statusPublished

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