Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes

doi:10.1021/jacs.7b01471

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	Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes
	Feng, QC; Zhao, S; Wang, Y; Dong, JC; Chen, WX; He, DS; Wang, DS; Yang, J; Zhu, YM; Zhu, HL
刊名	JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
	2017
卷号	139 期号:21 页码:7294-7301
关键词	Absorption Fine-structure Atomically Dispersed Palladium Liquid-phase Hydrogenation Total-energy Calculations Wave Basis-set Structure Spectroscopy Co Oxidation Structure Standards Surface Dynamics Part Ii
ISSN号	0002-7863
DOI	10.1021/jacs.7b01471
文献子类	期刊论文
英文摘要	Improving the catalytic selectivity of Pd catalysts is of key importance for various industrial processes and remains a challenge so far. Given the unique properties of single-atom catalysts, isolating contiguous Pd atoms into a single-Pd site with another metal to form intermetallic structures is an effective way to endow Pd with high catalytic selectivity and to stabilize the single site with the intermetallic structures. Based on density functional theory modeling, we demonstrate that the (110) surface of Pm (3) over barm PdIn with single-atom Pd sites shows high selectivity for semihydrogenation of acetylene, whereas the (111) surface of P4/mmm Pd3In with Pd trimer sites shows low selectivity. This idea has been further validated by experimental results that intermetallic PdIn nanocrystals mainly exposing the (110) surface exhibit much higher selectivity for acetylene hydrogenation than Pd3In nanocrystals mainly exposing the (111) surface (92% vs 21% ethylene selectivity at 90 degrees C). This work provides insight for rational design of bimetallic metal catalysts with specific catalytic properties.
WOS关键词	ABSORPTION FINE-STRUCTURE ; ATOMICALLY DISPERSED PALLADIUM ; LIQUID-PHASE HYDROGENATION ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; STRUCTURE SPECTROSCOPY ; CO OXIDATION ; STRUCTURE STANDARDS ; SURFACE DYNAMICS ; PART II
语种	英语
WOS记录号	WOS:000402691800027
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/28713]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Feng, QC,Zhao, S,Wang, Y,et al. Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2017,139(21):7294-7301.
APA	Feng, QC.,Zhao, S.,Wang, Y.,Dong, JC.,Chen, WX.,...&Li, YD.(2017).Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,139(21),7294-7301.
MLA	Feng, QC,et al."Isolated Single-Atom Pd Sites in Intermetallic Nanostructures: High Catalytic Selectivity for Semihydrogenation of Alkynes".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139.21(2017):7294-7301.