CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium, Palladium, and Platinum: An ab Initio Thermodynamics Study

	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, Runhai 3; Li, Wei-Xue 3
刊名	journal of physical chemistry c
	2014-05-08
卷号	118 期号:18 页码:9588-9597
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.
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000335878900033
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/145898]
专题	大连化学物理研究所_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
推荐引用方式 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.