Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeOâ‚‚(111) catalyst for CO oxidation

Kenneth Wong; Qinghua Zeng; Aibing Yu

doi:10.1016/j.cej.2011.09.020

Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeOâ‚‚(111) catalyst for CO oxidation

Kenneth Wong
, Qinghua Zeng
, Aibing Yu

School of Engineering, Design & Built Environment

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

26 Citations (Scopus)

Abstract

The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO 2(111) catalyst for CO oxidation is investigated with density functional theory calculation. Important factors related to the synergistic effect such as interfacial ionicity, electron transfer, and charge partitioning of the Cu modifications are analyzed in detail for better understanding and control of this catalyst system.

Original language	English
Pages (from-to)	408-412
Number of pages	5
Journal	Chemical Engineering Journal
Volume	174
Issue number	1
DOIs	https://doi.org/10.1016/j.cej.2011.09.020
Publication status	Published - 2011

Keywords

CO oxidation
catalysis
molecular simulation
synergistic effects

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10.1016/j.cej.2011.09.020

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title = "Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeO{\^a}‚‚(111) catalyst for CO oxidation",

abstract = "The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO 2(111) catalyst for CO oxidation is investigated with density functional theory calculation. Important factors related to the synergistic effect such as interfacial ionicity, electron transfer, and charge partitioning of the Cu modifications are analyzed in detail for better understanding and control of this catalyst system.",

keywords = "CO oxidation, catalysis, molecular simulation, synergistic effects",

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

year = "2011",

doi = "10.1016/j.cej.2011.09.020",

language = "English",

volume = "174",

pages = "408--412",

journal = "Chemical Engineering Journal",

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publisher = "Elsevier B.V.",

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TY - JOUR

T1 - Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeOâ‚‚(111) catalyst for CO oxidation

AU - Wong, Kenneth

AU - Zeng, Qinghua

AU - Yu, Aibing

PY - 2011

Y1 - 2011

N2 - The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO 2(111) catalyst for CO oxidation is investigated with density functional theory calculation. Important factors related to the synergistic effect such as interfacial ionicity, electron transfer, and charge partitioning of the Cu modifications are analyzed in detail for better understanding and control of this catalyst system.

AB - The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO 2(111) catalyst for CO oxidation is investigated with density functional theory calculation. Important factors related to the synergistic effect such as interfacial ionicity, electron transfer, and charge partitioning of the Cu modifications are analyzed in detail for better understanding and control of this catalyst system.

KW - CO oxidation

KW - catalysis

KW - molecular simulation

KW - synergistic effects

UR - http://handle.uws.edu.au:8081/1959.7/526225

U2 - 10.1016/j.cej.2011.09.020

DO - 10.1016/j.cej.2011.09.020

M3 - Article

SN - 1385-8947

VL - 174

SP - 408

EP - 412

JO - Chemical Engineering Journal

JF - Chemical Engineering Journal

IS - 1

ER -

Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeOâ‚‚(111) catalyst for CO oxidation

Abstract

Keywords

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