A study on the stability of gold copper bimetallic clusters on the CeO2(110) surface

被引：10
作者：
Chutia, Arunabhiram [1 ]
机构：
[1] Univ Lincoln, Sch Chem, Lincoln LN6 7TS, England
来源：
CATALYSIS COMMUNICATIONS | 2022年 / 162卷
基金：
英国工程与自然科学研究理事会;
关键词：
Gold-copper duster; Stability; Charge transfer; CeO2; AU; CU; NANOPARTICLE; OXIDATION; OXIDE; CEO2;
D O I：
10.1016/j.catcom.2021.106376
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The stability of AuCu, Au2Cu, AuCu2, Au2Cu2, and Au3Cu clusters on the CeO2(110) surface is related to the favourable interaction between theAu and Cu d-orbitals of the clusters with theO p-orbitals on the CeO2(110) surface. On the most stable AuCu/CeO2(110) systems, two surface Ce(IV)-ions are reduced to Ce(III)-ions however, the relatively lesser stable triatomic AuCu2 cluster can reduce up to three Ce(IV)-ions. The noninteracting Au-atoms in the Au2Cu/CeO2(110) and the Au3Cu/CeO2(110) systems are found to be negatively charged. We conclude that the number of reduced Ce-ions on the CeO2(110) surface can be tuned by altering the compositions of gold-copper clusters.
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页数：5
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共 27 条
  • [1] PROJECTOR AUGMENTED-WAVE METHOD
    BLOCHL, PE
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 17953 - 17979
  • [2] A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface
    Chutia, Arunabhiram
    Thetford, Adam
    Stamatakis, Michail
    Catlow, C. Richard A.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (06) : 3620 - 3632
  • [3] The electronic properties of Au clusters on CeO2 (110) surface with and without O-defects
    Chutia, Arunabhiram
    Willock, David J.
    Catlow, C. Richard A.
    [J]. FARADAY DISCUSSIONS, 2018, 208 : 123 - 145
  • [4] The adsorption of Cu on the CeO2(110) surface
    Chutia, Arunabhiram
    Gibson, Emma K.
    Farrow, Matthew R.
    Wells, Peter P.
    Scanlon, David O.
    Dimitratos, Nikolaos
    Willock, David J.
    Catlow, C. Richard A.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (40) : 27191 - 27203
  • [5] Orbital interaction and local stability of Ni substituted Pd nanoalloys
    Chutia, Arunabhiram
    Tokuyama, Michio
    [J]. CHEMICAL PHYSICS LETTERS, 2011, 515 (1-3) : 96 - 101
  • [6] Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
    Dudarev, SL
    Botton, GA
    Savrasov, SY
    Humphreys, CJ
    Sutton, AP
    [J]. PHYSICAL REVIEW B, 1998, 57 (03) : 1505 - 1509
  • [7] CeO2-supported Au and AuCu catalysts for CO oxidation: Impact of activation protocol and residual chlorine on the active sites
    Fiuza, Tanna Elyn Rodrigues
    Gonsalves, Danielle Santos
    Gomes, Igor Ferreira
    Zanchet, Daniela
    [J]. CATALYSIS TODAY, 2021, 381 : 171 - 180
  • [8] NOVEL GOLD CATALYSTS FOR THE OXIDATION OF CARBON-MONOXIDE AT A TEMPERATURE FAR BELOW 0-DEGREES-C
    HARUTA, M
    KOBAYASHI, T
    SANO, H
    YAMADA, N
    [J]. CHEMISTRY LETTERS, 1987, (02) : 405 - 408
  • [9] Electronic charge transfer between ceria surfaces and gold adatoms: a GGA plus U investigation
    Hernandez, Norge C.
    Grau-Crespo, Ricardo
    de Leeuw, Nora H.
    Sanz, Javier Fdez.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2009, 11 (26) : 5246 - 5252
  • [10] VAPOR-PHASE HYDROCHLORINATION OF ACETYLENE - CORRELATION OF CATALYTIC ACTIVITY OF SUPPORTED METAL CHLORIDE CATALYSTS
    HUTCHINGS, GJ
    [J]. JOURNAL OF CATALYSIS, 1985, 96 (01) : 292 - 295
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