Reversible temperature-induced shape transition of Pt nanoparticles supported on Al2O3
| Author(s) | Pool Mazun, Ricardo | |
| Author(s) | Khan, Salman A. | |
| Author(s) | Liao, Vinson | |
| Author(s) | Hansen, Thomas W. | |
| Author(s) | Yousuf, Md Raian | |
| Author(s) | Yang, Piaoping | |
| Author(s) | Shrotri, Abhijit | |
| Author(s) | Hoffman, Adam S. | |
| Author(s) | Bare, Simon R. | |
| Author(s) | Vlachos, Dionisios G. | |
| Author(s) | Karim, Ayman M. | |
| Date Accessioned | 2025-11-25T22:34:36Z | |
| Date Available | 2025-11-25T22:34:36Z | |
| Publication Date | 2025-11-07 | |
| Description | This article was originally published in Nanoscale Advances. The version of record is available at: DOI https://doi.org/10.1039/D5NA00930H © 2025 The Author(s). Published by the Royal Society of Chemistry Open Access Article. Published on 07 November 2025. This article is licensed under a Creative Commons Attribution-Non Commercial 3.0 Unported Licence. | |
| Abstract | Supported platinum catalysts are widely used in industry for hydrogenation reactions. The variations of the electronic and geometric properties of Pt nanoparticles due to temperature can greatly affect their reactivity. In this work, we use in situ X-ray absorption spectroscopy and environmental transmission electron microscopy to study the effect of H2 and temperature on the shape and electronic properties of 1.8 nm average diameter Pt nanoparticles supported on Al2O3. We utilize actively trained machine learning potentials with uniform acceptance force-bias Monte Carlo (fbMC) to estimate the structural distribution of Pt15/g-Al2O3 (110) clusters at finite temperatures. Our predicted cluster geometries are consistent with experimental data showing the nanoparticles reversibly change shape from 3D hemispheres at low temperatures (35–100 °C) to 2–2.5D rafts at higher temperatures (200–400 °C). Furthermore, experiments and computations indicate that the contraction in Pt–Pt bond distances and higher electron density on Pt at higher temperatures are attributed primarily to the change in nanoparticle shape and associated increased interaction with Al2O3. Our results show the fluxional nature of supported Pt nanoparticles driven by temperature changes. | |
| Sponsor | This research was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Catalysis Science program, under award DE-SC0022144. This research was supported in part through the use of Information Technologies (IT) resources at the University of Delaware, specically the high-performance computing resources. The microscopy work was supported by the Cooperative Research Program of Institute for Catalysis, Hokkaido University (20A1004 and 22DS0123). Use of the Stanford Synchrotron Radiation Light Source (SSRL, beamline 9–3, user proposal 4645), SLAC National Accelerator Laboratory is supported by the U.S. Department of Energy, office of Basic Energy Sciences under Contract No. DEAC02- 76SF00515. Additional support by the Consortium for Operando and Advanced Catalyst Characterization via Electronic Spectroscopy and Structure (Co-ACCESS) at SLAC is acknowledged. Co-ACCESS, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences under Contract DE-AC02-76SF00515. Finally, we thank Dr Fernando Vila for insightful discussions and feedback. | |
| Citation | Pool Mazun R, Khan SA, Liao V, Hansen TW, Yousuf MR, Yang P, Shrotri A, Hoffman AS, Bare SR, Vlachos DG, Karim AM. Reversible temperature-induced shape transition of Pt nanoparticles supported on Al2O3. Nanoscale Adv. 2025 Nov 7. doi: https://doi.org/ doi: 10.1039/d5na00930h. Epub ahead of print. PMID: 41257220; PMCID: PMC12621133. | |
| ISSN | 2516-0230 | |
| URL | https://udspace.udel.edu/handle/19716/36769 | |
| Language | en_US | |
| Publisher | Nanoscale Advances | |
| dc.rights | CC BY-NC 3.0 Attribution-Non Commercial 3.0 Unported | en |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc/3.0/ | |
| Title | Reversible temperature-induced shape transition of Pt nanoparticles supported on Al2O3 | |
| Type | Article |
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