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Royal Society of Chemistry, Catalysis Science & Technology, 4(11), p. 1615-1625, 2021

DOI: 10.1039/d0cy01523g

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Density Functional Theory Study of Thiophene Desulfurization and Conversion of Desulfurization Product on Ni(111) Surface and Ni55 Cluster: Implication for the Mechanism of Reactive Adsorption Desulfurization over Ni/ZnO Catalysts

Journal article published in 2021 by Houyu Zhu ORCID, Xin Li, Naiyou Shi, Xuefei Ding, Zehua Yu, Wen Zhao, Hao Ren ORCID, Yuan Pan ORCID, Yunqi Liu, Wenyue Guo ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Density functional theory calculations were performed to study thiophene desulfurization and conversion of desulfurization products on the Ni(111) surface and Ni55 cluster.