Corrosion inhibition at emergent grain boundaries studied by DFT for 2-mercaptobenzothiazole on bi-crystalline copper

Autor: Fatah Chiter, Dominique Costa, Vincent Maurice, Philippe Marcus

Publikováno v: npj Materials Degradation, Vol 7, Iss 1, Pp 1-10 (2023)

Abstract Inhibition of the initiation of intergranular corrosion was modeled at the atomic scale for 2-mercaptobenzothiazole (MBT) adsorbed on a (110)-oriented copper bi-crystal exposing an emergent Σ9 coincident site lattice (CSL) grain boundary (G

Externí odkaz: https://doaj.org/article/8352aeefd8b04d398e178c20f3731c86

Insight at the atomic scale of corrosion inhibition: DFT study of 8-hydroxyquinoline on oxidized aluminum surfaces

Autor: Fatah Chiter, Dominique Costa, Nadine Pébère, Philippe Marcus, Corinne Lacaze-Dufaure

Publikováno v: Physical Chemistry Chemical Physics. 25:4284-4296

8-Hydroxyquinoline (8-HQ) is a promising organic molecule for the corrosion protection of aluminum and its alloys.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ff9c01d2e0ddf393aeb6ae6e82850d69
https://doi.org/10.1039/d2cp04626a

ToF-SIMS, XPS and DFT study of the adsorption of 2-mercaptobenzothiazole on copper in neutral aqueous solution and corrosion protection in chloride solution

Autor: Eléa Vernack, Sandrine Zanna, Antoine Seyeux, Dominique Costa, Fatah Chiter, Philippe Tingaut, Philippe Marcus

Publikováno v: Corrosion Science. 210:110854

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::780dd9d658a501172d44e94ff60a7b38
https://doi.org/10.1016/j.corsci.2022.110854

Corrosion inhibition of locally de-passivated surfaces by DFT study of 2-mercaptobenzothiazole on copper

Autor: Vincent Maurice, Dominique Costa, Fatah Chiter, Philippe Marcus

Publikováno v: npj Materials Degradation
npj Materials Degradation, Nature Research 2021, 5 (1), pp.52. ⟨10.1038/s41529-021-00198-x⟩
npj Materials Degradation, 2021, 5 (1), pp.52. ⟨10.1038/s41529-021-00198-x⟩
npj Materials Degradation, Vol 5, Iss 1, Pp 1-12 (2021)
npj Materials Degradation, Nature Research 2021, 5 (1), ⟨10.1038/s41529-021-00198-x⟩

Investigating the interaction of organic inhibitors with metal and alloy surfaces is crucial for an atomic-scale understanding of their protection efficiency, particularly on the initiation of localized corrosion by pitting. Quantum chemical DFT calc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5334cd8869bafc513b4ea94a5d992b4
https://hal.archives-ouvertes.fr/hal-03363952

Adsorption of 2-mercaptobenzimidazole Corrosion Inhibitor on Copper: DFT Study on Model Oxidized Interfaces

Autor: Fatah Chiter, Vincent Maurice, Philippe Marcus, Dominique Costa

Publikováno v: Journal of The Electrochemical Society
Journal of The Electrochemical Society, Electrochemical Society, 2020, 167 (16), pp.161506. ⟨10.1149/1945-7111/abcd4f⟩
Journal of The Electrochemical Society, 2020, 167 (16), pp.161506. ⟨10.1149/1945-7111/abcd4f⟩

High corrosion inhibition efficiency of the 2-mercaptobenzimidazole (MBI) molecule for copper in different aqueous solutions is well established. We propose a first principle DFT study of the surface chemistry of the adsorption of MBI on preoxidized

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e9d7a7f6cb908d42182915478f8b598
https://hal.archives-ouvertes.fr/hal-03044028