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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; Gu, L; Li, Z; Liu, YX; Yu, R; Li, J; Li, YD
2017
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN0002-7863
Volume139Issue:21Pages:7294-7301
Subtype期刊论文
AbstractImproving 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.
KeywordAbsorption Fine-structure Atomically Dispersed Palladium Liquid-phase Hydrogenation Total-energy Calculations Wave Basis-set Structure Spectroscopy Co Oxidation Structure Standards Surface Dynamics Part Ii
DOI10.1021/jacs.7b01471
Indexed BySCI
WOS KeywordABSORPTION FINE-STRUCTURE ; ATOMICALLY DISPERSED PALLADIUM ; LIQUID-PHASE HYDROGENATION ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; STRUCTURE SPECTROSCOPY ; CO OXIDATION ; STRUCTURE STANDARDS ; SURFACE DYNAMICS ; PART II
Language英语
WOS IDWOS:000402691800027
Citation statistics
Cited Times:88[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/28713
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
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.
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