Dynamic Synergistic Cooperation in the Pt‐Skin Au‐Core Catalyst During CO Oxidation.
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| Title: | Dynamic Synergistic Cooperation in the Pt‐Skin Au‐Core Catalyst During CO Oxidation. |
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| Authors: | Kumar, Aditya1 (AUTHOR), Rajkamal, Anand1 (AUTHOR), Chatterjee, Abhijit1 (AUTHOR) abhijit@che.iitb.ac.in |
| Source: | ChemCatChem. 3/6/2025, Vol. 17 Issue 5, p1-13. 13p. |
| Subjects: | Submerged structures, Density functional theory, Catalytic oxidation, Catalytic activity, Surface structure, Gold catalysts |
| Abstract: | We describe a new type of cooperative phenomenon, which we term as the dynamic synergistic cooperation, that can be found in the Pt‐skin Au‐core catalyst. The phenomenon entails three key aspects, namely, (i) a high catalytic activity at Au‐rich surface sites resulting from synergistic effect, (ii) ultrafast Au or Pt segregation effect driven by the mobile adsorbed species, like CO and O, and (iii) dynamic coupling between these two effects. The nature of the catalyst surface during the catalytic CO oxidation reaction (COR) is investigated using a combination of density functional theory (DFT) and kinetic Monte Carlo (KMC) methods. The Pt‐skin Au (111) surface is shown to be composed of a transient patchwork of surface structures, some of which are Pt‐rich and others Au‐rich. These surface structures submerge/resurface at the subreaction timescales in response to the movement of the adsorbed species, which causes the nature of a catalytic site to change with time. The reaction turnover frequency (ToF) is among the emergent properties resulting from the cooperative phenomenon. [ABSTRACT FROM AUTHOR] |
| Copyright of ChemCatChem is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 183919936 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Dynamic Synergistic Cooperation in the Pt‐Skin Au‐Core Catalyst During CO Oxidation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Kumar%2C+Aditya%22">Kumar, Aditya</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Rajkamal%2C+Anand%22">Rajkamal, Anand</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chatterjee%2C+Abhijit%22">Chatterjee, Abhijit</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> abhijit@che.iitb.ac.in</i> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22ChemCatChem%22">ChemCatChem</searchLink>. 3/6/2025, Vol. 17 Issue 5, p1-13. 13p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Submerged+structures%22">Submerged structures</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Catalytic+oxidation%22">Catalytic oxidation</searchLink><br /><searchLink fieldCode="DE" term="%22Catalytic+activity%22">Catalytic activity</searchLink><br /><searchLink fieldCode="DE" term="%22Surface+structure%22">Surface structure</searchLink><br /><searchLink fieldCode="DE" term="%22Gold+catalysts%22">Gold catalysts</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: We describe a new type of cooperative phenomenon, which we term as the dynamic synergistic cooperation, that can be found in the Pt‐skin Au‐core catalyst. The phenomenon entails three key aspects, namely, (i) a high catalytic activity at Au‐rich surface sites resulting from synergistic effect, (ii) ultrafast Au or Pt segregation effect driven by the mobile adsorbed species, like CO and O, and (iii) dynamic coupling between these two effects. The nature of the catalyst surface during the catalytic CO oxidation reaction (COR) is investigated using a combination of density functional theory (DFT) and kinetic Monte Carlo (KMC) methods. The Pt‐skin Au (111) surface is shown to be composed of a transient patchwork of surface structures, some of which are Pt‐rich and others Au‐rich. These surface structures submerge/resurface at the subreaction timescales in response to the movement of the adsorbed species, which causes the nature of a catalytic site to change with time. The reaction turnover frequency (ToF) is among the emergent properties resulting from the cooperative phenomenon. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of ChemCatChem is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1002/cctc.202401684 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 13 StartPage: 1 Subjects: – SubjectFull: Submerged structures Type: general – SubjectFull: Density functional theory Type: general – SubjectFull: Catalytic oxidation Type: general – SubjectFull: Catalytic activity Type: general – SubjectFull: Surface structure Type: general – SubjectFull: Gold catalysts Type: general Titles: – TitleFull: Dynamic Synergistic Cooperation in the Pt‐Skin Au‐Core Catalyst During CO Oxidation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Kumar, Aditya – PersonEntity: Name: NameFull: Rajkamal, Anand – PersonEntity: Name: NameFull: Chatterjee, Abhijit IsPartOfRelationships: – BibEntity: Dates: – D: 06 M: 03 Text: 3/6/2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 18673880 Numbering: – Type: volume Value: 17 – Type: issue Value: 5 Titles: – TitleFull: ChemCatChem Type: main |
| ResultId | 1 |
