A comparison of CO oxidation on cleaned ZnO $$(10\overline{1 }0)$$ surface and defective ZnO $$(10\overline{1 }0)$$ surface using density functional theory studies-Reference-Cited by-同舟云学术

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A comparison of CO oxidation on cleaned ZnO $$(10\overline{1 }0)$$ surface and defective ZnO $$(10\overline{1 }0)$$ surface using density functional theory studies

Published:2021-12-22 Issue:1 Volume:28 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Cong Vo Thanh^ORCID,Van Son Nguyen,Pham Son Quynh Thai^ORCID

Funder

the Industrial University of Ho Chi Minh City by which this research is financially supported in the project with the core of contractual 21/1H06

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

https://link.springer.com/content/pdf/10.1007/s00894-021-05011-9.pdf

Reference52 articles.

1. Alavi A, Hu P, Deutsch T, Silvestrelli PL, Hutter J (1998) CO oxidation on Pt(111): an ab initio density functional theory study. Phys Rev Lett 80(16):3650–3653

2. Zhang CJ, Hu P (2001) CO oxidation on Pd(100) and Pd(111): a comparative study of reaction pathways and reactivity at low and medium coverages. J Am Chem Soc 123:1166–1172

3. Fajín JLC, Cordeiro MNlDS, Gomes JRB (2008) DFT study of the CO oxidation on the Au(321) surface, J. Phys. Chem. C 112, 17291–17302

4. Kahlich MJ, Gasteiger HA, Behm RJ (1997) Kinetics of the selective CO oxidation in H2-rich gas on Pt/Al2O3. J Catal 171:93–105

5. Huang M, Fabris S (2008) CO adsorption and oxidation on ceria surfaces from DFT+U calculations. J Phys Chem C 112:8643–8648

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