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A detailed electronic-scale DFT modeling/MD simulation, electrochemical and surface morphological explorations of imidazolium-based ionic liquids as sustainable and non-toxic corrosion inhibitors for mild steel in 1 M HCl

F. El Hajjaji, Elhachmia Ech‐chihbi, Rajae Salim, Abderrahim Titi, Mouslim Messali, Brahim El Ibrahimi, Savaş Kaya, M. Taleb

2022Materials Science and Engineering B67 citationsDOI

Topics & Concepts

Ionic liquidDielectric spectroscopyElectrochemistryDensity functional theoryAdsorptionCorrosionMaterials scienceMolecular dynamicsMoleculeIonic bondingReactivity (psychology)Polarization (electrochemistry)Physical chemistryComputational chemistryInorganic chemistryChemistryOrganic chemistryIonMetallurgyElectrodeCatalysisPathologyAlternative medicineMedicineCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityIonic liquids properties and applications
A detailed electronic-scale DFT modeling/MD simulation, electrochemical and surface morphological explorations of imidazolium-based ionic liquids as sustainable and non-toxic corrosion inhibitors for mild steel in 1 M HCl | Litcius