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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; Dong JC(董俊才); Zhu HL(朱海亮)
2017
Source PublicationJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN0002-7863
Volume139Issue:21Pages:7294-7301
SubtypeArticle
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.
DOI10.1021/jacs.7b01471
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
Indexed BySCI ; EI ; PUBMED ; SCOPUS
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
WOS IDWOS:000402691800027
EI Accession Number20172303732367
EI KeywordsAcetylene - Atoms - Binary alloys - Catalyst selectivity - Density functional theory - Ethylene - Intermetallics - Lighting - Nanocrystals
EI Classification Number531.1 Metallurgy - 547.1 Precious Metals - 761 Nanotechnology - 803 Chemical Agents and Basic Industrial Chemicals - 804 Chemical Products Generally - 804.1 Organic Compounds - 931.3 Atomic and Molecular Physics
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Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/285214
Collection多学科研究中心
中国科学院高能物理研究所_中国散裂中子源
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
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.,...&朱海亮.(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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