CO oxidation promoted by gold atoms loosely attached in AuFeO 3- cluster anions

Zhen Yuan; Xiao Na Li; Sheng Gui He

doi:10.1021/jz500509j

CO oxidation promoted by gold atoms loosely attached in AuFeO ₃^- cluster anions

Zhen Yuan, Xiao Na Li^*, Sheng Gui He

^*Corresponding author for this work

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

57 Citations (Scopus)

Abstract

Time-of-flight mass spectrometry experiment shows that upon the interactions with carbon monoxide, the mass-selected AuFeO₃ ^- oxide cluster anions can evaporate neutral gold atoms in a hexapole collision cell and oxidize CO into CO₂ in an ion trap reactor. The computational studies identify that the gold atom is loosely attached in the AuFeO₃^- cluster, and the different reaction channels can be attributed to different cluster velocities. The structure of the AuFeO ₃^- cluster is very flexible, and the approach of CO induces significant geometrical and electronic structure changes of AuFeO ₃^-, which facilitates the exposure of the positively charged gold atom to trap and oxidize CO. The CO oxidation by the AuFeO ₃^- cluster follows the Au-assisted Mars-van Krevelen mechanism, in which the direct participation of the surface lattice oxygen (O^2-) is proposed.

Original language	English
Pages (from-to)	1585-1590
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	5
Issue number	9
DOIs	https://doi.org/10.1021/jz500509j
Publication status	Published - 1 May 2014
Externally published	Yes

Keywords

CO oxidation
atomic clusters
density functional calculations
gold
mass spectrometry

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10.1021/jz500509j

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abstract = "Time-of-flight mass spectrometry experiment shows that upon the interactions with carbon monoxide, the mass-selected AuFeO3 - oxide cluster anions can evaporate neutral gold atoms in a hexapole collision cell and oxidize CO into CO2 in an ion trap reactor. The computational studies identify that the gold atom is loosely attached in the AuFeO3- cluster, and the different reaction channels can be attributed to different cluster velocities. The structure of the AuFeO 3- cluster is very flexible, and the approach of CO induces significant geometrical and electronic structure changes of AuFeO 3-, which facilitates the exposure of the positively charged gold atom to trap and oxidize CO. The CO oxidation by the AuFeO 3- cluster follows the Au-assisted Mars-van Krevelen mechanism, in which the direct participation of the surface lattice oxygen (O2-) is proposed.",

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author = "Zhen Yuan and Li, {Xiao Na} and He, {Sheng Gui}",

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doi = "10.1021/jz500509j",

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journal = "Journal of Physical Chemistry Letters",

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T1 - CO oxidation promoted by gold atoms loosely attached in AuFeO 3- cluster anions

AU - Yuan, Zhen

AU - Li, Xiao Na

AU - He, Sheng Gui

PY - 2014/5/1

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N2 - Time-of-flight mass spectrometry experiment shows that upon the interactions with carbon monoxide, the mass-selected AuFeO3 - oxide cluster anions can evaporate neutral gold atoms in a hexapole collision cell and oxidize CO into CO2 in an ion trap reactor. The computational studies identify that the gold atom is loosely attached in the AuFeO3- cluster, and the different reaction channels can be attributed to different cluster velocities. The structure of the AuFeO 3- cluster is very flexible, and the approach of CO induces significant geometrical and electronic structure changes of AuFeO 3-, which facilitates the exposure of the positively charged gold atom to trap and oxidize CO. The CO oxidation by the AuFeO 3- cluster follows the Au-assisted Mars-van Krevelen mechanism, in which the direct participation of the surface lattice oxygen (O2-) is proposed.

AB - Time-of-flight mass spectrometry experiment shows that upon the interactions with carbon monoxide, the mass-selected AuFeO3 - oxide cluster anions can evaporate neutral gold atoms in a hexapole collision cell and oxidize CO into CO2 in an ion trap reactor. The computational studies identify that the gold atom is loosely attached in the AuFeO3- cluster, and the different reaction channels can be attributed to different cluster velocities. The structure of the AuFeO 3- cluster is very flexible, and the approach of CO induces significant geometrical and electronic structure changes of AuFeO 3-, which facilitates the exposure of the positively charged gold atom to trap and oxidize CO. The CO oxidation by the AuFeO 3- cluster follows the Au-assisted Mars-van Krevelen mechanism, in which the direct participation of the surface lattice oxygen (O2-) is proposed.

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KW - atomic clusters

KW - density functional calculations

KW - gold

KW - mass spectrometry

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CO oxidation promoted by gold atoms loosely attached in AuFeO ₃^- cluster anions

Abstract

Keywords

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