Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeO2(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 CeO₂(111) catalyst for CO oxidation

Kenneth Wong
, Qinghua Zeng
, Aibing Yu

School of Energy and Power Engineering

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

25 Scopus citations

Abstract

The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO₂(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
State	Published - 15 Oct 2011

Keywords

Catalysis
CO oxidation
Interface
Molecular simulation
Synergistic effect

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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 CeO2(111) catalyst for CO oxidation",

abstract = "The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO2(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 = "Catalysis, CO oxidation, Interface, Molecular simulation, Synergistic effect",

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

year = "2011",

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AU - Wong, Kenneth

AU - Zeng, Qinghua

AU - Yu, Aibing

PY - 2011/10/15

Y1 - 2011/10/15

N2 - The synergistic effect at the interface of the bilayer Cu monomer or CuO dimer modified CeO2(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 CeO2(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 - Catalysis

KW - CO oxidation

KW - Interface

KW - Molecular simulation

KW - Synergistic effect

UR - https://www.scopus.com/pages/publications/80053991350

U2 - 10.1016/j.cej.2011.09.020

DO - 10.1016/j.cej.2011.09.020

M3 - 文章

AN - SCOPUS:80053991350

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 CeO₂(111) catalyst for CO oxidation

Abstract

Keywords

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