Mechanisms for Catalytic CO Oxidation on SiAun (n = 1–5) Cluster

Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAun) for CO oxidation. In the present work, we performed density function theory (D...

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Published inMolecules (Basel, Switzerland) Vol. 28; no. 4; p. 1917
Main Authors Zhang, Yang, Ren, Dasen
Format Journal Article
LanguageEnglish
Published Basel MDPI AG 17.02.2023
MDPI
Subjects
Adsorption
Atoms & subatomic particles
AuSi
Carbon monoxide
Catalysis
Catalytic activity
Catalytic oxidation
Density functional theory
DFT
Energy
Gold
Intermediates
Investigations
Oxidation
Particle size
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Abstract Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAun) for CO oxidation. In the present work, we performed density function theory (DFT) calculations for a SiAun (n = 1–5) cluster at the CAM-B3LYP/aug-cc-pVDZ-PP level and investigated the effects on the reactivity and catalytic activity of the SiAun cluster for CO oxidation. The calculated results show that the effect is very low for the activation barriers for the formation of OOCO intermediates on SiAu clusters, SiAu3 clusters, and SiAu5 clusters in the catalytic oxidation of CO and the activation energy barriers for the formation of OCO intermediates on OSiAu3, OSiAu4, and OSiAu5. Our calculations show that, compared with the conventional small Au cluster, the incorporation of Si enhances the catalytic performance towards CO oxidation.
AbstractList Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAun) for CO oxidation. In the present work, we performed density function theory (DFT) calculations for a SiAun (n = 1–5) cluster at the CAM-B3LYP/aug-cc-pVDZ-PP level and investigated the effects on the reactivity and catalytic activity of the SiAun cluster for CO oxidation. The calculated results show that the effect is very low for the activation barriers for the formation of OOCO intermediates on SiAu clusters, SiAu3 clusters, and SiAu5 clusters in the catalytic oxidation of CO and the activation energy barriers for the formation of OCO intermediates on OSiAu3, OSiAu4, and OSiAu5. Our calculations show that, compared with the conventional small Au cluster, the incorporation of Si enhances the catalytic performance towards CO oxidation.
Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAun) for CO oxidation. In the present work, we performed density function theory (DFT) calculations for a SiAun (n = 1-5) cluster at the CAM-B3LYP/aug-cc-pVDZ-PP level and investigated the effects on the reactivity and catalytic activity of the SiAun cluster for CO oxidation. The calculated results show that the effect is very low for the activation barriers for the formation of OOCO intermediates on SiAu clusters, SiAu3 clusters, and SiAu5 clusters in the catalytic oxidation of CO and the activation energy barriers for the formation of OCO intermediates on OSiAu3, OSiAu4, and OSiAu5. Our calculations show that, compared with the conventional small Au cluster, the incorporation of Si enhances the catalytic performance towards CO oxidation.Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAun) for CO oxidation. In the present work, we performed density function theory (DFT) calculations for a SiAun (n = 1-5) cluster at the CAM-B3LYP/aug-cc-pVDZ-PP level and investigated the effects on the reactivity and catalytic activity of the SiAun cluster for CO oxidation. The calculated results show that the effect is very low for the activation barriers for the formation of OOCO intermediates on SiAu clusters, SiAu3 clusters, and SiAu5 clusters in the catalytic oxidation of CO and the activation energy barriers for the formation of OCO intermediates on OSiAu3, OSiAu4, and OSiAu5. Our calculations show that, compared with the conventional small Au cluster, the incorporation of Si enhances the catalytic performance towards CO oxidation.
Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However, little research has focused on mixed silicon/gold clusters (SiAu n ) for CO oxidation. In the present work, we performed density function theory (DFT) calculations for a SiAu n ( n = 1–5) cluster at the CAM-B3LYP/aug-cc-pVDZ-PP level and investigated the effects on the reactivity and catalytic activity of the SiAu n cluster for CO oxidation. The calculated results show that the effect is very low for the activation barriers for the formation of OOCO intermediates on SiAu clusters, SiAu 3 clusters, and SiAu 5 clusters in the catalytic oxidation of CO and the activation energy barriers for the formation of OCO intermediates on OSiAu 3 , OSiAu 4 , and OSiAu 5 . Our calculations show that, compared with the conventional small Au cluster, the incorporation of Si enhances the catalytic performance towards CO oxidation.
Author Ren, Dasen
Zhang, Yang
AuthorAffiliation College of Chemical Engineering, Guizhou Minzu University, Guiyang 550025, China
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  givenname: Yang
  surname: Zhang
  fullname: Zhang, Yang
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  givenname: Dasen
  surname: Ren
  fullname: Ren, Dasen
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Cites_doi 10.1021/ct0499783
10.3390/catal6100158
10.1002/anie.200602454
10.1021/jp0512560
10.1021/j100096a001
10.1002/anie.202104952
10.1016/j.bios.2020.112639
10.1063/1.2913153
10.1002/anie.200300624
10.1063/1.462569
10.1016/j.cplett.2004.06.011
10.1021/acs.jpcc.7b10902
10.1016/S1872-2067(20)63659-2
10.1021/ja052618k
10.1021/cs502055r
10.1016/j.cclet.2022.01.032
10.1063/1.1724823
10.1002/anie.202002141
10.1021/jp9935992
10.1016/j.jcis.2014.12.096
10.1002/anie.200353602
10.1021/acscatal.2c05358
10.1016/j.cclet.2018.12.019
10.1063/1.456153
10.1021/nn201817b
10.1039/C5CP06313B
10.1021/ja810093t
10.1039/C5CP04060D
10.3390/catal11080994
10.1016/j.chemphys.2004.10.005
10.3390/ma16031216
10.1016/j.apcata.2021.118318
10.1021/acscatal.9b04655
10.1039/c1cp21160a
10.1002/cctc.201700872
10.1002/9783527646869
10.1021/jp510488v
10.1021/acs.chemrev.0c00841
10.1016/j.apcatb.2022.121439
10.1007/s100530050395
10.1002/anie.201710424
10.1021/jp801262v
10.1021/acs.jpcc.9b02396
10.1007/s00214-016-1852-6
10.1021/ar00072a001
10.1016/S0920-5861(01)00522-3
10.1016/j.apsusc.2023.156497
10.1021/acs.jpcc.9b02644
10.1063/1.434318
10.1021/nl504192u
10.1016/j.physleta.2010.04.068
10.1021/acs.jpcc.6b10202
10.1103/PhysRevB.79.033413
10.1016/S0920-5861(96)00208-8
10.1002/anie.201916154
10.1021/jp3046609
10.1002/smll.201703734
10.1021/jp801514d
10.1021/acs.jpcc.6b01774
10.1021/acs.chemrev.0c00824
10.1007/s11244-022-01607-4
10.1021/jp803161b
10.1063/1.3073884
10.1038/nature07194
10.1021/ja0768542
10.1021/jp045681p
10.1007/s00894-011-1317-8
10.1166/jnn.2018.14389
10.1007/s11244-021-01489-y
10.1016/j.theochem.2008.09.018
10.1021/acs.chemrev.0c00348
10.1039/D2CY01734B
10.1006/jcat.1993.1322
10.1016/j.cplett.2004.07.065
10.1038/201603a0
10.1021/acscatal.1c00789
10.1063/1.471637
10.1021/acs.jpcc.7b12711
10.1016/j.chemphys.2022.111462
10.1002/tcr.10053
10.1021/acs.jpcc.1c05503
10.1007/s00214-005-0681-9
10.1016/j.cclet.2022.04.004
10.1021/jp501611t
10.1021/acscatal.9b02841
10.1016/S1872-2067(19)63388-7
10.1039/C5CP05624A
10.1021/ja106679z
10.1016/S1571-0785(07)12004-6
10.1063/1.2834693
10.1063/1.1483067
10.1021/jp051066p
10.1016/j.apsusc.2023.156539
10.1021/jp076089d
10.1021/cs502067x
10.1021/jz2006435
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References ref_92
Buratto (ref_44) 2007; 12
Cai (ref_21) 2018; 14
Pembere (ref_4) 2019; 30
Seeger (ref_97) 1977; 66
Manzoor (ref_77) 2016; 18
ref_98
Deng (ref_1) 2020; 59
Niu (ref_3) 2022; 33
Rezvani (ref_9) 2020; 10
Jiang (ref_74) 2005; 109
Wu (ref_14) 2002; 117
Yanai (ref_91) 2004; 393
Hratchian (ref_93) 2005; 1
Barrow (ref_59) 1964; 201
Kiran (ref_62) 2004; 43
Soni (ref_41) 2017; 121
Stephens (ref_86) 1994; 98
Hashmi (ref_46) 2006; 45
Deka (ref_67) 2008; 870
Cai (ref_37) 2023; 616
Li (ref_66) 2012; 18
An (ref_81) 2016; 120
Niihori (ref_22) 2019; 123
Wang (ref_53) 2009; 130
Zhang (ref_84) 2016; 18
Ye (ref_8) 2021; 121
Lu (ref_24) 2018; 122
Li (ref_45) 2015; 15
ref_27
Bond (ref_17) 2002; 72
Yan (ref_48) 2022; 33
Poulain (ref_56) 2022; 556
Cao (ref_58) 2023; 13
Reilly (ref_51) 2008; 130
Yoshida (ref_39) 2018; 57
Yang (ref_2) 2021; 42
Manzoor (ref_78) 2014; 118
Heiz (ref_16) 1999; 9
Zorriasatein (ref_54) 2008; 128
Phala (ref_72) 2004; 395
Figgen (ref_89) 2005; 311
Pal (ref_60) 2009; 131
Chen (ref_38) 2023; 618
Fang (ref_15) 2011; 13
Wang (ref_63) 2010; 374
Chen (ref_20) 2021; 624
Jena (ref_57) 2011; 2
Wang (ref_12) 2015; 5
Chen (ref_13) 2015; 5
(ref_19) 2004; 43
Zhang (ref_85) 2015; 17
Tielens (ref_73) 2007; 111
Zhai (ref_70) 2008; 112
Hendrich (ref_7) 2021; 121
Bauernschmitt (ref_96) 1996; 104
Tathe (ref_30) 2021; 11
Fukui (ref_95) 1981; 14
Shao (ref_40) 2019; 40
Gurtu (ref_79) 2016; 135
Chen (ref_23) 2020; 169
Narayanan (ref_64) 2005; 109
Liu (ref_68) 2018; 122
Zhai (ref_71) 2005; 127
King (ref_5) 2023; 13
Chizallet (ref_34) 2022; 65
Wu (ref_11) 2017; 9
Mostafa (ref_65) 2010; 132
Neal (ref_28) 2019; 123
Li (ref_61) 2005; 109
Manzoor (ref_83) 2014; 118
Gao (ref_52) 2011; 5
Schwerdtfeger (ref_69) 2008; 128
Kendall (ref_88) 1992; 96
Kim (ref_29) 2018; 18
Haruta (ref_43) 1993; 144
Fricke (ref_10) 2019; 9
Camposeco (ref_35) 2022; 65
Haruta (ref_18) 2003; 3
ref_36
Dunning (ref_87) 1989; 90
Liu (ref_33) 2022; 313
ref_31
Chintawar (ref_32) 2020; 59
Jena (ref_47) 2012; 116
Turner (ref_80) 2008; 454
Donoeva (ref_25) 2021; 125
Hratchian (ref_94) 2004; 120
Kapil (ref_26) 2021; 60
Johnson (ref_50) 2008; 112
Sanchez (ref_75) 1999; 103
Gao (ref_76) 2008; 112
Peterson (ref_90) 2005; 114
Hou (ref_82) 2015; 449
Haruta (ref_42) 1997; 36
ref_49
Witzel (ref_6) 2021; 121
Wang (ref_55) 2009; 79
References_xml – volume: 1
  start-page: 61
  year: 2005
  ident: ref_93
  article-title: Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method
  publication-title: J. Chem. Theory Comput.
  doi: 10.1021/ct0499783
  contributor:
    fullname: Hratchian
– ident: ref_49
  doi: 10.3390/catal6100158
– volume: 45
  start-page: 7896
  year: 2006
  ident: ref_46
  article-title: Gold Catalysis
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.200602454
  contributor:
    fullname: Hashmi
– volume: 109
  start-page: 4366
  year: 2005
  ident: ref_61
  article-title: Gold as Hydrogen. An Experimental and Theoretical Study of the Structures and Bonding in Disilicon Gold Clusters Si2Aun- and Si2Aun (n = 2 and 4) and Comparisons to Si2H2 and Si2H4
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp0512560
  contributor:
    fullname: Li
– volume: 98
  start-page: 11623
  year: 1994
  ident: ref_86
  article-title: Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
  publication-title: J. Phys. Chem.
  doi: 10.1021/j100096a001
  contributor:
    fullname: Stephens
– volume: 60
  start-page: 18185
  year: 2021
  ident: ref_26
  article-title: Precisely Engineered Supported Gold Clusters as a Stable Catalyst for Propylene Epoxidation
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.202104952
  contributor:
    fullname: Kapil
– volume: 169
  start-page: 112639
  year: 2020
  ident: ref_23
  article-title: Molecularly imprinted sol-gel/Au@Ag core-shell nano-urchin localized surface plasmon resonance sensor designed in reflection mode for detection of organic acid vapors
  publication-title: Biosens. Bioelectron.
  doi: 10.1016/j.bios.2020.112639
  contributor:
    fullname: Chen
– volume: 128
  start-page: 184314
  year: 2008
  ident: ref_54
  article-title: Electronic and structural investigations of gold clusters doped with copper: Aun−1Cu− (n = 13–19)
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.2913153
  contributor:
    fullname: Zorriasatein
– volume: 43
  start-page: 4412
  year: 2004
  ident: ref_19
  article-title: Theoretical Chemistry of Gold
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.200300624
– volume: 96
  start-page: 6796
  year: 1992
  ident: ref_88
  article-title: Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.462569
  contributor:
    fullname: Kendall
– volume: 393
  start-page: 51
  year: 2004
  ident: ref_91
  article-title: A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
  publication-title: Chem. Phys. Lett.
  doi: 10.1016/j.cplett.2004.06.011
  contributor:
    fullname: Yanai
– volume: 122
  start-page: 1688
  year: 2018
  ident: ref_24
  article-title: Effects of TiO2 in Low Temperature Propylene Epoxidation Using Gold Catalysts
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.7b10902
  contributor:
    fullname: Lu
– volume: 42
  start-page: 245
  year: 2021
  ident: ref_2
  article-title: Evolution of catalytic activity driven by structural fusion of icosahedral gold cluster cores
  publication-title: Chin. J. Catal.
  doi: 10.1016/S1872-2067(20)63659-2
  contributor:
    fullname: Yang
– volume: 127
  start-page: 12098
  year: 2005
  ident: ref_71
  article-title: Unique CO Chemisorption Properties of Gold Hexamer:  Au6(CO)n- (n = 0−3)
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja052618k
  contributor:
    fullname: Zhai
– volume: 5
  start-page: 2873
  year: 2015
  ident: ref_12
  article-title: Morphological Effects of Gold Clusters on the Reactivity of Ceria Surface Oxygen
  publication-title: ACS Catal.
  doi: 10.1021/cs502055r
  contributor:
    fullname: Wang
– volume: 33
  start-page: 4822
  year: 2022
  ident: ref_48
  article-title: Promotion effect of Au single-atom support graphene for CO oxidation
  publication-title: Chin. Chem. Lett.
  doi: 10.1016/j.cclet.2022.01.032
  contributor:
    fullname: Yan
– volume: 120
  start-page: 9918
  year: 2004
  ident: ref_94
  article-title: Accurate reaction paths using a Hessian based predictor–corrector integrator
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.1724823
  contributor:
    fullname: Hratchian
– volume: 59
  start-page: 11808
  year: 2020
  ident: ref_32
  article-title: Gold-Catalyzed 1,2-Diarylation of Alkenes
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.202002141
  contributor:
    fullname: Chintawar
– volume: 103
  start-page: 9573
  year: 1999
  ident: ref_75
  article-title: When Gold Is Not Noble:  Nanoscale Gold Catalysts
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp9935992
  contributor:
    fullname: Sanchez
– volume: 449
  start-page: 488
  year: 2015
  ident: ref_82
  article-title: Solvent effects on geometrical structures and electronic properties of metal Au, Ag, and Cu nanoparticles of different sizes
  publication-title: J. Colloid Interface Sci.
  doi: 10.1016/j.jcis.2014.12.096
  contributor:
    fullname: Hou
– volume: 43
  start-page: 2125
  year: 2004
  ident: ref_62
  article-title: [SiAu4]: Aurosilane
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.200353602
  contributor:
    fullname: Kiran
– volume: 13
  start-page: 735
  year: 2023
  ident: ref_58
  article-title: Room-Temperature CO Oxidative Coupling for Oxamide Production over Interfacial Au/ZnO Catalysts
  publication-title: ACS Catal.
  doi: 10.1021/acscatal.2c05358
  contributor:
    fullname: Cao
– volume: 30
  start-page: 1000
  year: 2019
  ident: ref_4
  article-title: Small gold clusters catalyzing oxidant-free dehydrogenation of glycerol initiated by methene hydrogen atom transfer
  publication-title: Chin. Chem. Lett.
  doi: 10.1016/j.cclet.2018.12.019
  contributor:
    fullname: Pembere
– volume: 90
  start-page: 1007
  year: 1989
  ident: ref_87
  article-title: Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.456153
  contributor:
    fullname: Dunning
– volume: 5
  start-page: 7818
  year: 2011
  ident: ref_52
  article-title: Catalytic Activities of Subnanometer Gold Clusters (Au16–Au18, Au20, and Au27–Au35) for CO Oxidation
  publication-title: ACS Nano
  doi: 10.1021/nn201817b
  contributor:
    fullname: Gao
– volume: 18
  start-page: 3003
  year: 2016
  ident: ref_84
  article-title: Global optimization of clusters of rigid molecules using the artificial bee colony algorithm
  publication-title: Phys. Chem. Chem. Phys.
  doi: 10.1039/C5CP06313B
  contributor:
    fullname: Zhang
– volume: 131
  start-page: 3396
  year: 2009
  ident: ref_60
  article-title: Structural Evolution of Doped Gold Clusters: MAux− (M = Si, Ge, Sn; x = 5−8)
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja810093t
  contributor:
    fullname: Pal
– volume: 17
  start-page: 24173
  year: 2015
  ident: ref_85
  article-title: ABCluster: The artificial bee colony algorithm for cluster global optimization
  publication-title: Phys. Chem. Chem. Phys.
  doi: 10.1039/C5CP04060D
  contributor:
    fullname: Zhang
– ident: ref_27
  doi: 10.3390/catal11080994
– volume: 311
  start-page: 227
  year: 2005
  ident: ref_89
  article-title: Energy-consistent pseudopotentials for group 11 and 12 atoms: Adjustment to multi-configuration Dirac–Hartree–Fock data
  publication-title: Chem. Phys.
  doi: 10.1016/j.chemphys.2004.10.005
  contributor:
    fullname: Figgen
– ident: ref_36
  doi: 10.3390/ma16031216
– ident: ref_92
– volume: 624
  start-page: 118318
  year: 2021
  ident: ref_20
  article-title: Performance of Au/ZnO catalysts in CO2 reduction to methanol: Varying the Au loading / Au particle size
  publication-title: Appl. Catal. A
  doi: 10.1016/j.apcata.2021.118318
  contributor:
    fullname: Chen
– volume: 10
  start-page: 3580
  year: 2020
  ident: ref_9
  article-title: CO2 Reduction to Methanol on Au/CeO2 Catalysts: Mechanistic Insights from Activation/Deactivation and SSITKA Measurements
  publication-title: ACS Catal.
  doi: 10.1021/acscatal.9b04655
  contributor:
    fullname: Rezvani
– volume: 13
  start-page: 13358
  year: 2011
  ident: ref_15
  article-title: CO oxidation catalyzed by a single gold atom: Benchmark calculations and the performance of DFT methods
  publication-title: Phys. Chem. Chem. Phys.
  doi: 10.1039/c1cp21160a
  contributor:
    fullname: Fang
– volume: 9
  start-page: 3691
  year: 2017
  ident: ref_11
  article-title: Efficient Hydrogenation of CO2 to Methanol over Supported Subnanometer Gold Catalysts at Low Temperature
  publication-title: ChemCatChem
  doi: 10.1002/cctc.201700872
  contributor:
    fullname: Wu
– ident: ref_31
  doi: 10.1002/9783527646869
– volume: 118
  start-page: 30057
  year: 2014
  ident: ref_83
  article-title: Hydrogen Atom Chemisorbed Gold Clusters as Highly Active Catalysts for Oxygen Activation and CO Oxidation
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp510488v
  contributor:
    fullname: Manzoor
– volume: 121
  start-page: 8868
  year: 2021
  ident: ref_6
  article-title: Light in Gold Catalysis
  publication-title: Chem. Rev.
  doi: 10.1021/acs.chemrev.0c00841
  contributor:
    fullname: Witzel
– volume: 313
  start-page: 121439
  year: 2022
  ident: ref_33
  article-title: Ambient photothermal catalytic CO oxidation over a carbon-supported palladium catalyst
  publication-title: Appl. Catal. B
  doi: 10.1016/j.apcatb.2022.121439
  contributor:
    fullname: Liu
– volume: 9
  start-page: 35
  year: 1999
  ident: ref_16
  article-title: The reactivity of gold and platinum metals in their cluster phase
  publication-title: Eur. Phys. J. D
  doi: 10.1007/s100530050395
  contributor:
    fullname: Heiz
– volume: 57
  start-page: 1523
  year: 2018
  ident: ref_39
  article-title: Carbon Monoxide Oxidation by Polyoxometalate-Supported Gold Nanoparticulate Catalysts: Activity, Stability, and Temperature- Dependent Activation Properties
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.201710424
  contributor:
    fullname: Yoshida
– volume: 112
  start-page: 8234
  year: 2008
  ident: ref_76
  article-title: Effective CO Oxidation on Endohedral Gold-Cage Nanoclusters
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp801262v
  contributor:
    fullname: Gao
– volume: 123
  start-page: 12894
  year: 2019
  ident: ref_28
  article-title: Catalytic Reduction of 4-Nitrophenol by Gold Catalysts: The Influence of Borohydride Concentration on the Induction Time
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.9b02396
  contributor:
    fullname: Neal
– volume: 135
  start-page: 93
  year: 2016
  ident: ref_79
  article-title: Ability of density functional theory methods to accurately model the reaction energy pathways of the oxidation of CO on gold cluster: A benchmark study
  publication-title: Theor. Chem. Acc.
  doi: 10.1007/s00214-016-1852-6
  contributor:
    fullname: Gurtu
– volume: 14
  start-page: 363
  year: 1981
  ident: ref_95
  article-title: The Path of Chemical Reactions—The IRC Approach
  publication-title: Acc. Chem. Res.
  doi: 10.1021/ar00072a001
  contributor:
    fullname: Fukui
– volume: 72
  start-page: 5
  year: 2002
  ident: ref_17
  article-title: Gold: A relatively new catalyst
  publication-title: Catal. Today
  doi: 10.1016/S0920-5861(01)00522-3
  contributor:
    fullname: Bond
– volume: 616
  start-page: 156497
  year: 2023
  ident: ref_37
  article-title: Humidity tuning CO oxidation on Ti decorated V2CO2 monolayer (MXene) catalyst: A density functional calculation study
  publication-title: Appl. Surf. Sci.
  doi: 10.1016/j.apsusc.2023.156497
  contributor:
    fullname: Cai
– volume: 123
  start-page: 13324
  year: 2019
  ident: ref_22
  article-title: Dynamic Behavior of Thiolate-Protected Gold–Silver 38-Atom Alloy Clusters in Solution
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.9b02644
  contributor:
    fullname: Niihori
– volume: 66
  start-page: 3045
  year: 1977
  ident: ref_97
  article-title: Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.434318
  contributor:
    fullname: Seeger
– volume: 15
  start-page: 682
  year: 2015
  ident: ref_45
  article-title: Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation
  publication-title: Nano Lett.
  doi: 10.1021/nl504192u
  contributor:
    fullname: Li
– volume: 374
  start-page: 2736
  year: 2010
  ident: ref_63
  article-title: Au@Sin: Growth behavior, stability and electronic structure
  publication-title: Phys. Lett. A
  doi: 10.1016/j.physleta.2010.04.068
  contributor:
    fullname: Wang
– volume: 121
  start-page: 4946
  year: 2017
  ident: ref_41
  article-title: A Convenient Route for Au@Ti–SiO2 Nanocatalyst Synthesis and Its Application for Room Temperature CO Oxidation
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.6b10202
  contributor:
    fullname: Soni
– volume: 79
  start-page: 033413
  year: 2009
  ident: ref_55
  article-title: Magnetic doping of the golden cage cluster M@Au16− (M = Fe,Co,Ni)
  publication-title: Phys. Rev. B
  doi: 10.1103/PhysRevB.79.033413
  contributor:
    fullname: Wang
– volume: 36
  start-page: 153
  year: 1997
  ident: ref_42
  article-title: Size- and support-dependency in the catalysis of gold
  publication-title: Catal. Today
  doi: 10.1016/S0920-5861(96)00208-8
  contributor:
    fullname: Haruta
– volume: 59
  start-page: 6082
  year: 2020
  ident: ref_1
  article-title: Embedding Ultrasmall Au Clusters into the Pores of a Covalent Organic Framework for Enhanced Photostability and Photocatalytic Performance
  publication-title: Angew. Chem. Int. Ed.
  doi: 10.1002/anie.201916154
  contributor:
    fullname: Deng
– volume: 116
  start-page: 17063
  year: 2012
  ident: ref_47
  article-title: DNA Base–Gold Nanocluster Complex as a Potential Catalyzing Agent: An Attractive Route for CO Oxidation Process
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp3046609
  contributor:
    fullname: Jena
– volume: 14
  start-page: 1703734
  year: 2018
  ident: ref_21
  article-title: Performance of Preformed Au/Cu Nanoclusters Deposited on MgO Powders in the Catalytic Reduction of 4-Nitrophenol in Solution
  publication-title: Small
  doi: 10.1002/smll.201703734
  contributor:
    fullname: Cai
– volume: 112
  start-page: 9730
  year: 2008
  ident: ref_50
  article-title: Gas-Phase Reactivity of Gold Oxide Cluster Cations with CO
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp801514d
  contributor:
    fullname: Johnson
– volume: 120
  start-page: 9292
  year: 2016
  ident: ref_81
  article-title: Reactive Structural Motifs of Au Nanoclusters for Oxygen Activation and Subsequent CO Oxidation
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.6b01774
  contributor:
    fullname: An
– volume: 121
  start-page: 9113
  year: 2021
  ident: ref_7
  article-title: Homogeneous and Heterogeneous Gold Catalysis for Materials Science
  publication-title: Chem. Rev.
  doi: 10.1021/acs.chemrev.0c00824
  contributor:
    fullname: Hendrich
– ident: ref_98
– volume: 65
  start-page: 798
  year: 2022
  ident: ref_35
  article-title: Influence of the Preparation Method of Au, Pd, Pt, and Rh/TiO2 Nanostructures and Their Catalytic Activity on the CO Oxidation at Low Temperature
  publication-title: Top. Catal.
  doi: 10.1007/s11244-022-01607-4
  contributor:
    fullname: Camposeco
– volume: 112
  start-page: 11920
  year: 2008
  ident: ref_70
  article-title: Chemisorption-induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n− (n = 4−9)
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp803161b
  contributor:
    fullname: Zhai
– volume: 130
  start-page: 051101
  year: 2009
  ident: ref_53
  article-title: Tuning the electronic properties of the golden buckyball by endohedral doping: M@Au16− (M = Ag,Zn,In)
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.3073884
  contributor:
    fullname: Wang
– volume: 454
  start-page: 981
  year: 2008
  ident: ref_80
  article-title: Selective oxidation with dioxygen by gold nanoparticle catalysts derived from 55-atom clusters
  publication-title: Nature
  doi: 10.1038/nature07194
  contributor:
    fullname: Turner
– volume: 130
  start-page: 1694
  year: 2008
  ident: ref_51
  article-title: Influence of Charge State on the Mechanism of CO Oxidation on Gold Clusters
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja0768542
  contributor:
    fullname: Reilly
– volume: 109
  start-page: 1026
  year: 2005
  ident: ref_74
  article-title: Reactions of Gold Atoms and Small Clusters with CO:  Infrared Spectroscopic and Theoretical Characterization of AunCO (n = 1−5) and Aun(CO)2 (n = 1, 2) in Solid Argon
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp045681p
  contributor:
    fullname: Jiang
– volume: 18
  start-page: 3061
  year: 2012
  ident: ref_66
  article-title: Density functional study on size-dependent structures, stabilities, electronic and magnetic properties of AunM (M = Al and Si, n = 1–9) clusters: Comparison with pure gold clusters
  publication-title: J. Mol. Model.
  doi: 10.1007/s00894-011-1317-8
  contributor:
    fullname: Li
– volume: 18
  start-page: 2536
  year: 2018
  ident: ref_29
  article-title: Green Synthesis and Catalytic Activity of Gold Nanoparticles/Graphene Oxide Nanocomposites Prepared By Tannic Acid
  publication-title: J. Nanosci. Nanotechnol.
  doi: 10.1166/jnn.2018.14389
  contributor:
    fullname: Kim
– volume: 65
  start-page: 69
  year: 2022
  ident: ref_34
  article-title: Achievements and Expectations in the Field of Computational Heterogeneous Catalysis in an Innovation Context
  publication-title: Top. Catal.
  doi: 10.1007/s11244-021-01489-y
  contributor:
    fullname: Chizallet
– volume: 870
  start-page: 83
  year: 2008
  ident: ref_67
  article-title: Structural and electronic properties of stable Aun (n = 2–13) clusters: A density functional study
  publication-title: J. Mol. Struct. THEOCHEM
  doi: 10.1016/j.theochem.2008.09.018
  contributor:
    fullname: Deka
– volume: 121
  start-page: 9039
  year: 2021
  ident: ref_8
  article-title: Nitrene Transfer and Carbene Transfer in Gold Catalysis
  publication-title: Chem. Rev.
  doi: 10.1021/acs.chemrev.0c00348
  contributor:
    fullname: Ye
– volume: 13
  start-page: 301
  year: 2023
  ident: ref_5
  article-title: A tertiary phosphine oxide ligand-based recyclable system for the Suzuki–Miyaura and Negishi reactions: Evidence for pseudo-homogeneous catalysis
  publication-title: Catal. Sci. Technol.
  doi: 10.1039/D2CY01734B
  contributor:
    fullname: King
– volume: 144
  start-page: 175
  year: 1993
  ident: ref_43
  article-title: Low-Temperature Oxidation of CO over Gold Supported on TiO2, α-Fe2O3, and Co3O4
  publication-title: J. Catal.
  doi: 10.1006/jcat.1993.1322
  contributor:
    fullname: Haruta
– volume: 395
  start-page: 33
  year: 2004
  ident: ref_72
  article-title: A DFT study of hydrogen and carbon monoxide chemisorption onto small gold clusters
  publication-title: Chem. Phys. Lett.
  doi: 10.1016/j.cplett.2004.07.065
  contributor:
    fullname: Phala
– volume: 201
  start-page: 603
  year: 1964
  ident: ref_59
  article-title: Electronic Spectra of some Gaseous Diatomic Compounds of Gold
  publication-title: Nature
  doi: 10.1038/201603a0
  contributor:
    fullname: Barrow
– volume: 11
  start-page: 4576
  year: 2021
  ident: ref_30
  article-title: Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines
  publication-title: ACS Catal.
  doi: 10.1021/acscatal.1c00789
  contributor:
    fullname: Tathe
– volume: 104
  start-page: 9047
  year: 1996
  ident: ref_96
  article-title: Stability analysis for solutions of the closed shell Kohn–Sham equation
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.471637
  contributor:
    fullname: Bauernschmitt
– volume: 122
  start-page: 8327
  year: 2018
  ident: ref_68
  article-title: Optimum Particle Size for Gold-Catalyzed CO Oxidation
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.7b12711
  contributor:
    fullname: Liu
– volume: 556
  start-page: 111462
  year: 2022
  ident: ref_56
  article-title: The π back-donation influence in CO oxidation on small and oxidized Au–Ag clusters
  publication-title: Chem. Phys.
  doi: 10.1016/j.chemphys.2022.111462
  contributor:
    fullname: Poulain
– volume: 3
  start-page: 75
  year: 2003
  ident: ref_18
  article-title: When Gold Is Not Noble: Catalysis by Nanoparticles
  publication-title: Chem. Rec.
  doi: 10.1002/tcr.10053
  contributor:
    fullname: Haruta
– volume: 125
  start-page: 16557
  year: 2021
  ident: ref_25
  article-title: Steering the Selectivity in Gold–Titanium-Catalyzed Propene Oxidation by Controlling the Surface Acidity
  publication-title: J. Phys. Chem. C
  doi: 10.1021/acs.jpcc.1c05503
  contributor:
    fullname: Donoeva
– volume: 114
  start-page: 283
  year: 2005
  ident: ref_90
  article-title: Systematically convergent basis sets for transition metals. II. Pseudopotential-based correlation consistent basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elements
  publication-title: Theor. Chem. Acc.
  doi: 10.1007/s00214-005-0681-9
  contributor:
    fullname: Peterson
– volume: 33
  start-page: 3488
  year: 2022
  ident: ref_3
  article-title: Broken electron transfer pathway in enzyme: Gold clusters inhibiting TrxR1/Trx via cell studies and theory simulations
  publication-title: Chin. Chem. Lett.
  doi: 10.1016/j.cclet.2022.04.004
  contributor:
    fullname: Niu
– volume: 118
  start-page: 7501
  year: 2014
  ident: ref_78
  article-title: Effect of Silicon Doping on the Reactivity and Catalytic Activity of Gold Clusters
  publication-title: J. Phys. Chem. C
  doi: 10.1021/jp501611t
  contributor:
    fullname: Manzoor
– volume: 9
  start-page: 9231
  year: 2019
  ident: ref_10
  article-title: Gold-Catalyzed C–H Functionalization with Aryl Germanes
  publication-title: ACS Catal.
  doi: 10.1021/acscatal.9b02841
  contributor:
    fullname: Fricke
– volume: 40
  start-page: 1534
  year: 2019
  ident: ref_40
  article-title: Facet-dependent anchoring of gold nanoparticles on TiO2 for CO oxidation
  publication-title: Chin. J. Catal.
  doi: 10.1016/S1872-2067(19)63388-7
  contributor:
    fullname: Shao
– volume: 18
  start-page: 7068
  year: 2016
  ident: ref_77
  article-title: Endohedrally doped gold nanocages: Efficient catalysts for O2 activation and CO oxidation
  publication-title: Phys. Chem. Chem. Phys.
  doi: 10.1039/C5CP05624A
  contributor:
    fullname: Manzoor
– volume: 132
  start-page: 15714
  year: 2010
  ident: ref_65
  article-title: Shape-Dependent Catalytic Properties of Pt Nanoparticles
  publication-title: J. Am. Chem. Soc.
  doi: 10.1021/ja106679z
  contributor:
    fullname: Mostafa
– volume: 12
  start-page: 151
  year: 2007
  ident: ref_44
  article-title: Aun and Agn (n = 1−8) Nanocluster Catlysts: Gas-Phase Reativity to Deposited Structures. Chem
  publication-title: Phys. Solid Surf.
  doi: 10.1016/S1571-0785(07)12004-6
  contributor:
    fullname: Buratto
– volume: 128
  start-page: 124302
  year: 2008
  ident: ref_69
  article-title: The adsorption of CO on charged and neutral Au and Au2: A comparison between wave-function based and density functional theory
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.2834693
  contributor:
    fullname: Schwerdtfeger
– volume: 117
  start-page: 4010
  year: 2002
  ident: ref_14
  article-title: A density functional study of carbon monoxide adsorption on small cationic, neutral, and anionic gold clusters
  publication-title: J. Chem. Phys.
  doi: 10.1063/1.1483067
  contributor:
    fullname: Wu
– volume: 109
  start-page: 12663
  year: 2005
  ident: ref_64
  article-title: Catalysis with Transition Metal Nanoparticles in Colloidal Solution:  Nanoparticle Shape Dependence and Stability
  publication-title: J. Phys. Chem. B
  doi: 10.1021/jp051066p
  contributor:
    fullname: Narayanan
– volume: 618
  start-page: 156539
  year: 2023
  ident: ref_38
  article-title: CO Oxidation over CuOx/TiO2 Catalyst: The Importance of Oxygen Vacancies and Cu+ Species
  publication-title: Appl. Surf. Sci.
  doi: 10.1016/j.apsusc.2023.156539
  contributor:
    fullname: Chen
– volume: 111
  start-page: 13255
  year: 2007
  ident: ref_73
  article-title: A Theoretical Study on the Electronic Structure of Au−XO(0,−1,+1) (X = C, N, and O) Complexes:  Effect of an External Electric Field
  publication-title: J. Phys. Chem. A
  doi: 10.1021/jp076089d
  contributor:
    fullname: Tielens
– volume: 5
  start-page: 1653
  year: 2015
  ident: ref_13
  article-title: Size-Dependent Reaction Pathways of Low-Temperature CO Oxidation on Au/CeO2 Catalysts
  publication-title: ACS Catal.
  doi: 10.1021/cs502067x
  contributor:
    fullname: Chen
– volume: 2
  start-page: 1476
  year: 2011
  ident: ref_57
  article-title: Beyond the Gold–Hydrogen Analogy: Doping Gold Cluster with H-atom–O2 Activation and Reduction of the Reaction Barrier for CO Oxidation
  publication-title: J. Phys. Chem. Lett.
  doi: 10.1021/jz2006435
  contributor:
    fullname: Jena
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Snippet Significant progress has been made in understanding the reactivity and catalytic activity of gas-phase and loaded gold clusters for CO oxidation. However,...
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StartPage 1917
SubjectTerms Adsorption
Atoms & subatomic particles
AuSi
Carbon monoxide
Catalysis
Catalytic activity
Catalytic oxidation
Density functional theory
DFT
Energy
Gold
Intermediates
Investigations
Oxidation
Particle size
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Title Mechanisms for Catalytic CO Oxidation on SiAun (n = 1–5) Cluster
URI https://www.proquest.com/docview/2779641096
https://www.proquest.com/docview/2780080853/abstract/
https://pubmed.ncbi.nlm.nih.gov/PMC9962203
https://doaj.org/article/2fcb3b5af23245158533abbdf5092ddc
Volume 28
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