Gold catalysts: A new insight into the molecular adsorption and CO oxidation

Kenneth Wong; Qinghua Zeng; Aibing Yu

doi:10.1016/j.cej.2009.09.006

Gold catalysts: A new insight into the molecular adsorption and CO oxidation

Kenneth Wong
, Qinghua Zeng
, Aibing Yu

School of Energy and Power Engineering

University of New South Wales

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

20 Scopus citations

Abstract

The molecular adsorption and CO oxidation on a gold-deposited TiO₂ catalyst were investigated by means of molecular dynamics simulation. The results indicate that the molecules (i.e., O₂, CO, and H₂O) are selectively adsorbed on the specific locations such as gold particle, gold-support perimeter interface, and support surface. The adsorption and dissociation of H₂O molecules at the perimeter interface enhance the supply of oxygen, thus promoting the oxidation of CO on the Au/TiO₂ catalyst. However, the presence of Cl^- ions could significantly impede CO oxidation due to their competition with O₂, CO, and H₂O for the adsorption sites. A reaction mechanism of CO oxidation is postulated on this basis. The findings are useful in developing a comprehensive picture about CO oxidation on gold-deposited TiO₂ and in the design of new gold catalysts with high catalytic activity.

Original language	English
Pages (from-to)	824-828
Number of pages	5
Journal	Chemical Engineering Journal
Volume	155
Issue number	3
DOIs	https://doi.org/10.1016/j.cej.2009.09.006
State	Published - 15 Dec 2009

Keywords

CO oxidation
Heterogeneous catalyst
Molecular adsorption
Molecular dynamics simulation

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10.1016/j.cej.2009.09.006

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title = "Gold catalysts: A new insight into the molecular adsorption and CO oxidation",

abstract = "The molecular adsorption and CO oxidation on a gold-deposited TiO2 catalyst were investigated by means of molecular dynamics simulation. The results indicate that the molecules (i.e., O2, CO, and H2O) are selectively adsorbed on the specific locations such as gold particle, gold-support perimeter interface, and support surface. The adsorption and dissociation of H2O molecules at the perimeter interface enhance the supply of oxygen, thus promoting the oxidation of CO on the Au/TiO2 catalyst. However, the presence of Cl- ions could significantly impede CO oxidation due to their competition with O2, CO, and H2O for the adsorption sites. A reaction mechanism of CO oxidation is postulated on this basis. The findings are useful in developing a comprehensive picture about CO oxidation on gold-deposited TiO2 and in the design of new gold catalysts with high catalytic activity.",

keywords = "CO oxidation, Heterogeneous catalyst, Molecular adsorption, Molecular dynamics simulation",

author = "Kenneth Wong and Qinghua Zeng and Aibing Yu",

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TY - JOUR

T1 - Gold catalysts

T2 - A new insight into the molecular adsorption and CO oxidation

AU - Wong, Kenneth

AU - Zeng, Qinghua

AU - Yu, Aibing

PY - 2009/12/15

Y1 - 2009/12/15

N2 - The molecular adsorption and CO oxidation on a gold-deposited TiO2 catalyst were investigated by means of molecular dynamics simulation. The results indicate that the molecules (i.e., O2, CO, and H2O) are selectively adsorbed on the specific locations such as gold particle, gold-support perimeter interface, and support surface. The adsorption and dissociation of H2O molecules at the perimeter interface enhance the supply of oxygen, thus promoting the oxidation of CO on the Au/TiO2 catalyst. However, the presence of Cl- ions could significantly impede CO oxidation due to their competition with O2, CO, and H2O for the adsorption sites. A reaction mechanism of CO oxidation is postulated on this basis. The findings are useful in developing a comprehensive picture about CO oxidation on gold-deposited TiO2 and in the design of new gold catalysts with high catalytic activity.

AB - The molecular adsorption and CO oxidation on a gold-deposited TiO2 catalyst were investigated by means of molecular dynamics simulation. The results indicate that the molecules (i.e., O2, CO, and H2O) are selectively adsorbed on the specific locations such as gold particle, gold-support perimeter interface, and support surface. The adsorption and dissociation of H2O molecules at the perimeter interface enhance the supply of oxygen, thus promoting the oxidation of CO on the Au/TiO2 catalyst. However, the presence of Cl- ions could significantly impede CO oxidation due to their competition with O2, CO, and H2O for the adsorption sites. A reaction mechanism of CO oxidation is postulated on this basis. The findings are useful in developing a comprehensive picture about CO oxidation on gold-deposited TiO2 and in the design of new gold catalysts with high catalytic activity.

KW - CO oxidation

KW - Heterogeneous catalyst

KW - Molecular adsorption

KW - Molecular dynamics simulation

UR - https://www.scopus.com/pages/publications/71649109023

U2 - 10.1016/j.cej.2009.09.006

DO - 10.1016/j.cej.2009.09.006

M3 - 文章

AN - SCOPUS:71649109023

SN - 1385-8947

VL - 155

SP - 824

EP - 828

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

IS - 3

ER -

Gold catalysts: A new insight into the molecular adsorption and CO oxidation

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Keywords

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