Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis
Abstract
Interactions with their support, adsorbates, and unique structural motifs are responsible for many intriguing properties and potential applications of supported metal nanoparticles (NPs). At the same time, they complicate the interpretation of experimental data. In fact, the methods and approaches that work well for the ex situ analysis of bulk materials may be inaccurate or introduce artifacts in the in situ analysis of nanomaterials. Here, we revisit the controversial topic of negative thermal expansion and anomalies in the Debye temperature reported for oxide-supported metal NPs. In situ X-ray absorption experimental data collected for Pt NPs in ultrahigh vacuum and an advanced data analysis approach based on an artificial neural network demonstrate that Pt NPs do not exhibit intrinsic negative thermal expansion. Similarly, as for bulk materials, in the absence of adsorbates and strong particle-support interaction, the bond lengths in metal NPs increase with temperature. Lastly, the previously reported anomalies in particle-size-dependent Debye temperatures can also be linked to the artifacts in the interpretation of conventional X-ray absorption data of disordered materials such as NPs.
- Authors:
-
- Fritz-Haber-Inst. of the Max Planck Society, Berlin (Germany)
- Univ. of Central Florida, Orlando, FL (United States)
- Fritz-Haber-Inst. of the Max Planck Society, Berlin (Germany); Univ. of Central Florida, Orlando, FL (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- National Science Foundation (NSF); European Research Council (ERC)
- OSTI Identifier:
- 1575996
- Grant/Contract Number:
- ERC-725915; OPERANDOCAT; NSF-CHEM-1213182; NSF- DMR-1207065
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. C
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 33; Journal ID: ISSN 1932-7447
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; diseases and disorders; thermal expansion; platinum; metal nanoparticles; extended X-ray absorption fine structure
Citation Formats
Timoshenko, Janis, Ahmadi, Mahdi, and Cuenya, Beatriz Roldan. Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis. United States: N. p., 2019.
Web. doi:10.1021/acs.jpcc.9b05037.
Timoshenko, Janis, Ahmadi, Mahdi, & Cuenya, Beatriz Roldan. Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis. United States. https://doi.org/10.1021/acs.jpcc.9b05037
Timoshenko, Janis, Ahmadi, Mahdi, and Cuenya, Beatriz Roldan. Fri .
"Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis". United States. https://doi.org/10.1021/acs.jpcc.9b05037. https://www.osti.gov/servlets/purl/1575996.
@article{osti_1575996,
title = {Is There a Negative Thermal Expansion in Supported Metal Nanoparticles? An in Situ X-ray Absorption Study Coupled with Neural Network Analysis},
author = {Timoshenko, Janis and Ahmadi, Mahdi and Cuenya, Beatriz Roldan},
abstractNote = {Interactions with their support, adsorbates, and unique structural motifs are responsible for many intriguing properties and potential applications of supported metal nanoparticles (NPs). At the same time, they complicate the interpretation of experimental data. In fact, the methods and approaches that work well for the ex situ analysis of bulk materials may be inaccurate or introduce artifacts in the in situ analysis of nanomaterials. Here, we revisit the controversial topic of negative thermal expansion and anomalies in the Debye temperature reported for oxide-supported metal NPs. In situ X-ray absorption experimental data collected for Pt NPs in ultrahigh vacuum and an advanced data analysis approach based on an artificial neural network demonstrate that Pt NPs do not exhibit intrinsic negative thermal expansion. Similarly, as for bulk materials, in the absence of adsorbates and strong particle-support interaction, the bond lengths in metal NPs increase with temperature. Lastly, the previously reported anomalies in particle-size-dependent Debye temperatures can also be linked to the artifacts in the interpretation of conventional X-ray absorption data of disordered materials such as NPs.},
doi = {10.1021/acs.jpcc.9b05037},
journal = {Journal of Physical Chemistry. C},
number = 33,
volume = 123,
place = {United States},
year = {Fri Jul 19 00:00:00 EDT 2019},
month = {Fri Jul 19 00:00:00 EDT 2019}
}
Web of Science
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Works referencing / citing this record:
Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning
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