Density functional theory study of thiophene desulfurization and conversion of desulfurization products on the Ni(111) surface and Ni55 cluster: implication for the mechanism of reactive adsorption desulfurization over Ni/ZnO catalysts-Reference-Cited by-同舟云学术

Density functional theory study of thiophene desulfurization and conversion of desulfurization products on the Ni(111) surface and Ni55 cluster: implication for the mechanism of reactive adsorption desulfurization over Ni/ZnO catalysts

Published:2021 Issue:4 Volume:11 Page:1615-1625
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Zhu Houyu¹²³⁴^ORCID,Li Xin¹²³⁴,Shi Naiyou¹²³⁴,Ding Xuefei¹²³⁴,Yu Zehua¹²³⁴,Zhao Wen¹²³⁴,Ren Hao¹²³⁴^ORCID,Pan Yuan⁵⁶²³⁴^ORCID,Liu Yunqi⁵⁶²³⁴,Guo Wenyue¹²³⁴^ORCID

Affiliation:

1. School of Materials Science and Engineering

2. China University of Petroleum (East China)

3. Qingdao

4. China

5. State Key Laboratory of Heavy Oil Processing

6. College of Chemical Engineering

Abstract

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

Funder

Natural Science Foundation of Shandong Province

National Natural Science Foundation of China

PetroChina Innovation Foundation

Fundamental Research Funds for the Central Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CY/D0CY01523G

Reference64 articles.