DICP OpenIR
CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study
Goldsmith, Bryan R.1; Sanderson, Evan D.2; Ouyang, Runhai3; Li, Wei-Xue3
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY C
2014-05-08
DOI10.1021/jp502201f
Volume118Issue:18Pages:9588-9597
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science
WOS KeywordINDUCED STRUCTURAL-CHANGES ; TOTAL-ENERGY CALCULATIONS ; METAL-SUPPORT INTERFACE ; IN-SITU OBSERVATION ; WAVE BASIS-SET ; MODEL CATALYST ; GOLD CLUSTERS ; ADSORPTION ; NANOPARTICLES ; SIZE
AbstractDisintegration of supported nanoparticles (NPs) in the presence of reactants can lead to catalyst deactivation or be exploited to redisperse sintered catalysts. To better understand the stability of TiO2(110)-supported three-way catalysts Rh, Pd, and Pt NPs during NOx and CO reduction, we present an ab initio thermodynamics study of the feasibility for these NPs to disintegrate into adatom-reactant complexes across a large parameter space of temperatures, pressures, and sizes. The tendencies for disintegration and redispersion between supported Rh, Pd, and Pt NPs are established. Compared to both Pd and Pt, Rh NPs are found to be more susceptible to either NO- or CO-induced disintegration, due to the large and exothermic formation energy of the Rh adatom complexes. Moreover, NO is a more efficient reactant for particle redispersion than CO. These findings provide valuable insights for how to either prevent reactant-induced NP disintegration or facilitate reactant-induced redispersion of sintered catalysts.
Language英语
WOS IDWOS:000335878900033
Citation statistics
Cited Times:19[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/145898
Collection中国科学院大连化学物理研究所
Affiliation1.Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA
2.Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China
Recommended Citation
GB/T 7714
Goldsmith, Bryan R.,Sanderson, Evan D.,Ouyang, Runhai,et al. CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(18):9588-9597.
APA Goldsmith, Bryan R.,Sanderson, Evan D.,Ouyang, Runhai,&Li, Wei-Xue.(2014).CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study.JOURNAL OF PHYSICAL CHEMISTRY C,118(18),9588-9597.
MLA Goldsmith, Bryan R.,et al."CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study".JOURNAL OF PHYSICAL CHEMISTRY C 118.18(2014):9588-9597.
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