Issue 64, 2015
From the journal:

RSC Advances

Theoretical studies on the monomeric vanadium oxides supported by ceria: the atomic structures and oxidative dehydrogenation activities†

Xin-Ping Wu,a   Juanjuan Liu,b   Jie Fanb  and  Xue-Qing Gong*a  

* Corresponding authors

a Key Laboratory for Advanced Materials, Centre for Computational Chemistry and Research Institute of Industrial Catalysis, East China University of Science and Technology, Shanghai 200237, People's Republic of China
E-mail: xgong@ecust.edu.cn

b Key Lab of Applied Chemistry of Zhejiang Province, Department of Chemistry, Zhejiang University, Hangzhou 310027, People's Republic of China

Abstract

The relative stabilities of different CeO2(111)-supported VOx are compared by calculating the phase diagrams, and a thermodynamically more stable VO2 type monomeric species is located. Studies based on H adsorption and O vacancy formation suggest high activities of the determined VOx (x = 2–4) species in oxidative dehydrogenation reactions.

Graphical abstract: Theoretical studies on the monomeric vanadium oxides supported by ceria: the atomic structures and oxidative dehydrogenation activities

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Article information

DOI
https://doi.org/10.1039/C5RA08962J
Article type
Communication
Submitted
13 May 2015
Accepted
05 Jun 2015
First published
09 Jun 2015

RSC Adv., 2015,5, 52259-52263

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Theoretical studies on the monomeric vanadium oxides supported by ceria: the atomic structures and oxidative dehydrogenation activities

X. Wu, J. Liu, J. Fan and X. Gong, RSC Adv., 2015, 5, 52259 DOI: 10.1039/C5RA08962J

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