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Computational insights into the molecular mechanisms for chromium passivation of stainless-steel surfaces

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Article number100298
JournalMaterials Today Chemistry
Volume17
DOIs
StatePublished - Sep 2020

ASJC Scopus Subject Areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Biomaterials
  • Polymers and Plastics
  • Colloid and Surface Chemistry
  • Materials Chemistry

Keywords

  • Density functional theory
  • Interfaces
  • Monte Carlo
  • Oxidation
  • Stainless steel

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