A DFT study of (WO3)3 nanoclusters adsorption on defective MgO ultrathin films on Ag(001)-Reference-Cited by-同舟云学术

A DFT study of (WO3)3 nanoclusters adsorption on defective MgO ultrathin films on Ag(001)

Published:2017 Issue:85 Volume:7 Page:54091-54099
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Zhang Hui¹²³⁴,Zhu Jia¹²³⁴^ORCID,Fang Zhenxing⁵⁶⁷⁴^ORCID,Xu Xianglan⁸⁹¹⁰³⁴,Zhang Yongfan¹¹¹²¹³⁴,Fan Yuehua¹²³⁴

Affiliation:

1. College of Chemistry and Chemical Engineering

2. Jiangxi Normal University

3. Nanchang

4. China

5. Department of Physics

6. Zunyi Normal University

7. Zunyi

8. Institute of Applied Chemistry

9. College of Chemistry

10. Nanchang University

11. Department of Chemistry

12. Fuzhou University

13. Fuzhou

Abstract

The structures and electronic properties of (WO₃)₃ nanocluster adsorption on defective MgO ultrathin films supported on Ag(001) metal surfaces have been investigated by means of density functional theory (DFT) calculations including dispersion interactions.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA11025A

Reference64 articles.

1. Structures of Mo2Oy− and Mo2Oy (y=2, 3, and 4) studied by anion photoelectron spectroscopy and density functional theory calculations

2. Appearance of bulk properties in small tungsten oxide clusters

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4. Dehydration, dehydrogenation, and condensation of alcohols on supported oxide catalysts based on cyclic (WO3)3 and (MoO3)3 clusters

5. Reaction and Deactivation Pathways in Xylene Isomerization on Zirconia Modified by Tungsten Oxide

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