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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...

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Detalles Bibliográficos
Autores principales:	Liu, Lingtao, Zhang, Chenxin, Wang, Wenshou, Li, Genghong, Zhu, Bingtian
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
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

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