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A Multitechnique Study of C 2 H 4 Adsorption on a Model Single-Atom Rh 1 Catalyst.
- Source :
-
The journal of physical chemistry. C, Nanomaterials and interfaces [J Phys Chem C Nanomater Interfaces] 2024 Sep 05; Vol. 128 (37), pp. 15404-15411. Date of Electronic Publication: 2024 Sep 05 (Print Publication: 2024). - Publication Year :
- 2024
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Abstract
- Single-atom catalysts are potentially ideal model systems to investigate structure-function relationships in catalysis if the active sites can be uniquely determined. In this work, we study the interaction of C <subscript>2</subscript> H <subscript>4</subscript> with a model Rh/Fe <subscript>3</subscript> O <subscript>4</subscript> (001) catalyst that features 2-, 5-, and 6-fold coordinated Rh adatoms, as well as Rh clusters. Using multiple surface-sensitive techniques in combination with calculations of density functional theory (DFT), we follow the thermal evolution of the system and disentangle the behavior of the different species. C <subscript>2</subscript> H <subscript>4</subscript> adsorption is strongest at the 2-fold coordinated Rh <subscript>1</subscript> with a DFT-determined adsorption energy of -2.26 eV. However, desorption occurs at lower temperatures than expected because the Rh migrates into substitutional sites within the support, where the molecule is more weakly bound. The adsorption energy at the 5-fold coordinated Rh sites is predicated to be -1.49 eV, but the superposition of this signal with that from small Rh clusters and additional heterogeneity leads to a broad C <subscript>2</subscript> H <subscript>4</subscript> desorption shoulder in TPD above room temperature.<br />Competing Interests: The authors declare no competing financial interest.<br /> (© 2024 The Authors. Published by American Chemical Society.)
Details
- Language :
- English
- ISSN :
- 1932-7447
- Volume :
- 128
- Issue :
- 37
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry. C, Nanomaterials and interfaces
- Publication Type :
- Academic Journal
- Accession number :
- 39323572
- Full Text :
- https://doi.org/10.1021/acs.jpcc.4c03588