Cargando…
Decomposition of SO(2) 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(2), similar to H(2)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 adsorption and de...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10536407/ https://www.ncbi.nlm.nih.gov/pubmed/37764515 http://dx.doi.org/10.3390/molecules28186739 |