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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
刊名JOURNAL OF PHYSICAL CHEMISTRY C
2014-05-08
DOI10.1021/jp502201f
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
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
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.
语种英语
WOS记录号WOS:000335878900033
引用统计
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/145898
专题中国科学院大连化学物理研究所
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
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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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