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article · Computational and Theoretical Chemistry

Computational study of the interaction between azo dye (RR141) and Hematite α-Fe2O3(1 1 1) Surface: Density functional theory and molecular dynamics simulation

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Research topics

  • Iron oxide chemistry and applications
  • Advanced oxidation water treatment
  • Corrosion Behavior and Inhibition

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DOI: 10.1016/j.comptc.2023.114355

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