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Surface oxidation mechanism of CoCrFeNi high entropy alloy

Frank McKay,Timothy Ismael,Alexa Robinson,Orhan Kizilkaya,Phillip T. Sprunger,Pedro A Derosa

Surface Science（2022）

Cited 3|Views5
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Abstract
•Initial corrosion mechanism of HEA elucidated by atomistic DFT/XPS/UPS study.•Oxidation of CoCrFeNi HEA begins with Cr followed by Fe and Co, and excludes Ni.•Oxidation process is dominated by the affinity of O to each of the metal species.•Because of electronic properties, Ni oxidizes last because oxygen bonds elsewhere.
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Key words
High-entropy alloy,Corrosion,Density functional theory,Photoemission,Oxidation mechanism
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