Simulations of Oxidation of Metal Nanoparticles with a Grain Boundary Inside Full article
| Journal |
Reaction Kinetics, Mechanisms and Catalysis
ISSN: 1878-5190 , E-ISSN: 1878-5204 |
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| Output data | Year: 2020, Volume: 130, Number: 2, Pages: 685–697 Pages count : 13 DOI: 10.1007/s11144-020-01818-4 | ||||
| Tags | Nanoparticles; Oxidation kinetics; Difusion; Grains; Grain boundaries | ||||
| Authors |
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| Affiliations |
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Funding (1)
| 1 | Chalmers University of Technology |
Abstract:
The generic 2D lattice Monte Carlo simulations presented herein are focused on the spatio-temporal kinetics of oxidation of metal nanoparticles composed of two grains separated by a single grain boundary. The oxidation is assumed to occur via inward diffusion of interstitial oxygen ions in the oxide. The results of simulations illustrate that the regimes of oxidation can range from one where the presence of grains is negligible and the oxide shell is formed at the periphery of a whole nanoparticle to one where each grain is oxidized almost independently.
Cite:
Zhdanov V.P.
Simulations of Oxidation of Metal Nanoparticles with a Grain Boundary Inside
Reaction Kinetics, Mechanisms and Catalysis. 2020.
V.130. N2. P.685–697. DOI: 10.1007/s11144-020-01818-4
WOS
Scopus
РИНЦ
ANCAN
OpenAlex
Simulations of Oxidation of Metal Nanoparticles with a Grain Boundary Inside
Reaction Kinetics, Mechanisms and Catalysis. 2020.
V.130. N2. P.685–697. DOI: 10.1007/s11144-020-01818-4
WOS
Scopus
РИНЦ
ANCAN
OpenAlex
Files:
Full text from publisher
Dates:
| Submitted: | Feb 20, 2020 |
| Accepted: | Jul 1, 2020 |
| Published online: | Jul 12, 2020 |
| Published print: | Aug 1, 2020 |
Identifiers:
| Web of science: | WOS:000547802900001 |
| Scopus: | 2-s2.0-85087793135 |
| Elibrary: | 45480540 |
| Chemical Abstracts: | 2020:1384575 |
| Chemical Abstracts (print): | 174:299090 |
| OpenAlex: | W3042138551 |