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Protection of Stainless Steels by Mo against Cl Attack: A DFT Study

Year: 2025

Type: article

Abstract: We report a DFT study of (0001)-oriented Cr 2 O 3 and Fe 2 O 3 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.

Source: The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.4c08056

Authors: Xian Huang, Dominique Costa, Boubakar Diawara, Vincent Maurice, Philippe Marcus

Institutions: Centre National de la Recherche Scientifique, Chimie ParisTech - PSL, Université Paris Sciences et Lettres, Institut de Recherche de Chimie Paris

Language: English

Topic: Hydrogen embrittlement and corrosion behaviors in metals

Subfield: Metals and Alloys

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: European Commission, Agence Nationale de la Recherche

OpenAlex ID: W4407216715

FWCI: 2.612

Cites: 20

Cited by: 12

Related to: 10