Protection of Stainless Steels by Mo against Cl Attack: A DFT Study
We report a DFT study of (0001)-oriented Cr2O3 and Fe2O3 surfaces addressing the beneficial effects of Mo on the passivity breakdown of stainless steels in Cl-rich environments. Compared to Cr-rich zones, Fe-rich zones of the oxide barrier layer of the passive film are more prone to adsorbing Cl ions. Mo substitutes preferentially in these Fe-rich zones and favors the cationic vacancy formation to promote selective dissolution, thus curing the weak sites, sensitive to localized corrosion attack. In the Fe-rich weak sites with adsorbed Cl, Mo increases the barrier of O vacancy formation, thus mitigating passivity breakdown by inhibiting Cl penetration.
Authors
- Vincent Maurice (ORCID: https://orcid.org/0000-0001-5222-9972)
- Boubakar Diawara (ORCID: https://orcid.org/0000-0001-7306-7714)
- Dominique Costa (ORCID: https://orcid.org/0000-0002-3781-9867)
- Philippe Marcus (ORCID: https://orcid.org/0000-0002-9140-0047)
- Xian Huang (ORCID: https://orcid.org/0000-0002-1156-0842)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Chimie ParisTech - PSL (FR)
- Université Paris Sciences et Lettres (FR)
- Institut de Recherche de Chimie Paris (FR)
Publication Details
- Journal
- The Journal of Physical Chemistry C
- Published
- 2025-02-06
- DOI
- https://doi.org/10.1021/acs.jpcc.4c08056
- Citations
- 7
- Primary Topic
- Hydrogen embrittlement and corrosion behaviors in metals
- Type
- article
- Field-Weighted Citation Impact
- 4.55
Funders
- Agence Nationale de la Recherche