Decomposition of SO<sub>2</sub> on Ni(111) Surface and the Effect of Metal Doping: A First-Principles Study
Sulfides poisoning of metallic Ni is an important issue in catalyst deactivation. SO<sub>2</sub>, similar to H<sub>2</sub>S and other sulfides, is an impurity presented in reactants or during the regeneration steps. Herein, spin-polarized density functional theory calculations were used to study the...
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| Principais autores: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI AG
2023-09-01
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| Series: | Molecules |
| Assuntos: | |
| Acceso en liña: | https://www.mdpi.com/1420-3049/28/18/6739 |
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