Light-weight materials with outstanding mechanical properties as well as novel anode materials for energy storage systems represent promising strategies to combat some of the adverse impacts caused by the ongoing climate change 1, 2. In this study, density functional theory calculations were employed to determine these parameters for the Volmer, Tafel and Heyrovský steps to gain a comprehensive understanding of the major corrosion mechanisms responsible for the degradation of magnesium.
However, the energetic and electronic states of both reaction paths as well as the charge state of dissolved magnesium have not been fully unraveled yet. Prior investigations of the formation of gaseous hydrogen during the corrosion of magnesium indicated that the predominant mechanism for this process follows the Volmer–Heyrovský rather than the previously assumed Volmer–Tafel pathway. An essential prerequisite for the control or prevention of the degradation process is a deeper understanding of the underlying corrosion mechanisms. However, the practical use of untreated magnesium alloys is restricted as they are prone to corrosion. Magnesium is the lightest structural engineering material and bears high potential to manufacture automotive components, medical implants and energy storage systems.
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