Corrosion inhibition of locally de-passivated surfaces by DFT study of 2-mercaptobenzothiazole on copper
Abstract 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 calculations were performed to optimize the c...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Publishing Group
2021-09-01
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| Series: | npj Materials Degradation |
| Online Access: | https://doi.org/10.1038/s41529-021-00198-x |