DICP OpenIR
Theoretical investigations on CO oxidation reaction catalyzed by gold nanoparticles
Sun, Keju1,2
KeywordCarbon Monoxide Oxidation Reaction Gold Nanoparticle Reaction Mechanism Theoretical Calculation Relativistic Effect
Source PublicationCHINESE JOURNAL OF CATALYSIS
2016-10-01
ISSN0253-9837
DOI10.1016/S1872-2067(16)62476-2
Volume37Issue:10Pages:1608-1618
Indexed BySCI
SubtypeReview
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Applied ; Chemistry, Physical ; Engineering, Chemical
WOS Research AreaChemistry ; Engineering
WOS KeywordDENSITY-FUNCTIONAL THEORY ; SUPPORTED AU NANOPARTICLES ; OXYGEN-ADSORPTION ; MOLECULAR-OXYGEN ; AU(321) SURFACE ; HETEROGENEOUS CATALYSIS ; PROPENE EPOXIDATION ; AU/TIO2 CATALYSTS ; STEPPED SURFACES ; AU(111) SURFACE
AbstractIt is crucial to understand the mechanism of low temperature CO oxidation reaction catalyzed by gold nanoparticles so as to find out the origin of the high catalytic reactivity and extend the industrialization applications of nano gold catalysts. In this work, some theoretical works on CO adsorption, O-2 adsorption, atomic oxygen adsorption, formation of surface gold oxide films, reaction mechanisms of CO oxidation involving O-2 reaction with CO and O-2 dissociation before reacting with CO on gold surfaces and Au/metal oxide were summarized, and the influences of coordination number, charge transfer and relativity of gold on CO oxidation reaction were briefly reviewed. It was found that CO reaction mechanism depended on the systems with or without oxide and the strong relativistic effects might play an important role in CO oxidation reaction on gold catalysts. In particular, the relativistic effects are related to the unique behaviors of CO adsorption, O adsorption, O-2 activation on gold surfaces, effects of coordination number and the wide gap between the chemical inertness of bulk gold and high catalytic activity of nano gold. The present work helps us to understand the CO oxidation reaction mechanism on gold catalysts and the influence of relativistic effects on gold catalysis. (C) 2016, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000386865300006
PublisherSCIENCE PRESS
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/169817
Collection中国科学院大连化学物理研究所
Corresponding AuthorSun, Keju
Affiliation1.Yanshan Univ, Coll Environm & Chem Engn, Key Lab Appl Chem, Qinhuangdao 066004, Hebei, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Gold Catalysis Res Ctr, State Key Lab Catalysis, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Sun, Keju. Theoretical investigations on CO oxidation reaction catalyzed by gold nanoparticles[J]. CHINESE JOURNAL OF CATALYSIS,2016,37(10):1608-1618.
APA Sun, Keju.(2016).Theoretical investigations on CO oxidation reaction catalyzed by gold nanoparticles.CHINESE JOURNAL OF CATALYSIS,37(10),1608-1618.
MLA Sun, Keju."Theoretical investigations on CO oxidation reaction catalyzed by gold nanoparticles".CHINESE JOURNAL OF CATALYSIS 37.10(2016):1608-1618.
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