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] |
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| Database: | Engineering Source |
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| 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] |
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| ISSN: | 18673880 |
| DOI: | 10.1002/cctc.202401684 |
