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题名: CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study
作者: Goldsmith, Bryan R.1;  Sanderson, Evan D.2;  Ouyang, Runhai3;  Li, Wei-Xue3
刊名: JOURNAL OF PHYSICAL CHEMISTRY C
发表日期: 2014-05-08
DOI: 10.1021/jp502201f
卷: 118, 期:18, 页:9588-9597
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences ;  Technology
类目[WOS]: Chemistry, Physical ;  Nanoscience & Nanotechnology ;  Materials Science, Multidisciplinary
研究领域[WOS]: Chemistry ;  Science & Technology - Other Topics ;  Materials Science
英文摘要: Disintegration 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.
关键词[WOS]: INDUCED STRUCTURAL-CHANGES ;  TOTAL-ENERGY CALCULATIONS ;  METAL-SUPPORT INTERFACE ;  IN-SITU OBSERVATION ;  WAVE BASIS-SET ;  MODEL CATALYST ;  GOLD CLUSTERS ;  ADSORPTION ;  NANOPARTICLES ;  SIZE
语种: 英语
WOS记录号: WOS:000335878900033
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/145898
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.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:
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.
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