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Sulfide (H(2)S) Corrosion Modeling of Cr-Doped Iron (Fe) Using a Molecular Modeling Approach
[Image: see text] This work presents the use of density functional theory to study the adsorption/dissociation mechanism of the H(2)S molecule at the Cr-doped iron (Fe(100)) surface. It is observed that H(2)S is weakly adsorbed on Cr-doped Fe; however, the dissociated products are strongly chemisorb...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9979321/ https://www.ncbi.nlm.nih.gov/pubmed/36872987 http://dx.doi.org/10.1021/acsomega.2c05615 |