Tailoring Pt-CeO 2 Interactions to Bypass Activity-Selectivity Trade-Off for C 2 H 2 Semi-Hydrogenation
CeO 2 -supported platinum-group metals with small nanoparticles allow fine-tuning of their electronic properties through enhanced electronic interactions with the support. Here, we modify the electronic properties of a Pt/CeO 2 catalyst with 1.5 nm Pt nanoparticles by varying the near-surface oxygen vacancy concentration. In-situ infrared, X-ray photoelectron, and X-ray absorption spectroscopies show that roomtemperature oxidation followed by re-reduction at 100 o C decreases near-surface oxygen vacancies by ∼3-fold without altering Pt size, resulting in ∼25-fold increase in C 2 H 2 hydrogenation turnover frequency while C 2 H 4 selectivity remains unchanged at ∼90%. These findings are exceptional for C 2 H 2 semi-hydrogenation since C 2 H 4 selectivity typically decreases with increasing C 2 H 2 activity due to the well-known linear scaling relationship and Brønsted-Evans-Polanyi relation. X-ray absorption spectroscopy and density functional theory calculations reveal that lowering subsurface oxygen vacancy concentration unevenly depletes Pt d -electron density, altering projected density of states exclusively for apex Pt sites. Competitive adsorption modeling reveals that apex Pt sites preferentially adsorb C 2 H 2 , while basal Pt sites favor C 2 H 4 , leading to a stronger effect on C 2 H 2 binding and resulting in the observed deviation from the typical activity-selectivity trade-off. Our study demonstrates that tailoring Pt-CeO 2 interactions enables site- and molecule-specific adsorption modulation to overcome the conventional activity–selectivity trade-off.
Authors
- Abhaya K. Datye (ORCID: https://orcid.org/0000-0002-7126-8659)
- Sanjana Srinivas (ORCID: https://orcid.org/0000-0002-2522-1913)
- Sagar Sourav (ORCID: https://orcid.org/0000-0001-5892-1329)
- George Yan (ORCID: https://orcid.org/0009-0002-3870-5447)
- Stephen Porter (ORCID: https://orcid.org/0000-0002-4529-4036)
- Ayman M. Karim (ORCID: https://orcid.org/0000-0001-7449-542X)
- Michael G. White (ORCID: https://orcid.org/0000-0003-1708-2930)
- Hung‐Ling Yu (ORCID: https://orcid.org/0000-0002-2825-3099)
- Eli Stavitski (ORCID: https://orcid.org/0000-0002-3337-2930)
- Dionisios G. Vlachos (ORCID: https://orcid.org/0000-0002-6795-8403)
- Md Raian Yousuf (ORCID: https://orcid.org/0000-0002-7993-859X)
- Piaoping Yang (ORCID: https://orcid.org/0000-0002-9555-1803)
- Matthew J. Bonney
- David Calderon
- Mohamed Eisa
Institutions
- University of New Mexico (US)
- Brookhaven National Laboratory (US)
- University of Virginia (US)
- Stony Brook University (US)
- Virginia Tech (US)
- University of Delaware (US)
Publication Details
- Journal
- ChemRxiv
- Published
- 2026-10-29
- DOI
- https://doi.org/10.26434/chemrxiv.15011278/v1
- Primary Topic
- Catalytic Processes in Materials Science
- Type
- preprint
Funders
- U.S. Department of Energy
- Office of Science
- Basic Energy Sciences
- Brookhaven National Laboratory