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

Xin Ping Wu; Juanjuan Liu; Jie Fan; Xue Qing Gong

doi:10.1039/c5ra08962j

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

Xin Ping Wu, Juanjuan Liu, Jie Fan, Xue Qing Gong

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

The relative stabilities of different CeO₂(111)-supported VO_x 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 VO_x (x = 2-4) species in oxidative dehydrogenation reactions.

Original language	English (US)
Pages (from-to)	52259-52263
Number of pages	5
Journal	RSC Advances
Volume	5
Issue number	64
DOIs	https://doi.org/10.1039/c5ra08962j
State	Published - 2015

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© The Royal Society of Chemistry.

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

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.",

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T2 - the atomic structures and oxidative dehydrogenation activities

AU - Wu, Xin Ping

AU - Liu, Juanjuan

AU - Fan, Jie

AU - Gong, Xue Qing

PY - 2015

Y1 - 2015

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AB - 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.

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

Abstract

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