Comment on “Real-time atomistic simulation of the Ostwald ripening of TiO2 supported Au nanoparticles” by B. Zhu, R. Qi, L. Yuan and Y. Gao, Nanoscale, 2020, 12, 19142 ArticleGenre_short.LETTER
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Nanoscale
ISSN: 2040-3364 , E-ISSN: 2040-3372 |
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| Output data | Year: 2022, Volume: 14, Pages: 16321-16323 Pages count : 2 DOI: 10.1039/d1nr05352c | ||||
| Tags | Density functional theory; Gold nanoparticles; Intelligent systems; Metal nanoparticles; Monte Carlo methods; TiO2 nanoparticles; Titanium dioxide | ||||
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| Affiliations |
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Funding (1)
| 1 | Ministry of Science and Higher Education of the Russian Federation | 0239-2021-0009 |
Abstract:
Using Monte Carlo simulations (MCS) in combination with an analytical model for the metal–metal interaction with the parameters based on density functional theory (DFT), Zhu, Qi, Yuan, and Gao predicted that the Ostwald ripening of Au nanoparticles on TiO2 occurs primarily via the detachment and attachment of Au dimers. I show that this and some other predictions are not properly validated because the parameters employed in the analytical model in order to describe the Au–Au interaction are in fact inconsistent both with DFT and experimental thermodynamical data.
Cite:
Zhdanov V.P.
Comment on “Real-time atomistic simulation of the Ostwald ripening of TiO2 supported Au nanoparticles” by B. Zhu, R. Qi, L. Yuan and Y. Gao, Nanoscale, 2020, 12, 19142
Nanoscale. 2022. V.14. P.16321-16323. DOI: 10.1039/d1nr05352c WOS Scopus РИНЦ OpenAlex AN PMID
Comment on “Real-time atomistic simulation of the Ostwald ripening of TiO2 supported Au nanoparticles” by B. Zhu, R. Qi, L. Yuan and Y. Gao, Nanoscale, 2020, 12, 19142
Nanoscale. 2022. V.14. P.16321-16323. DOI: 10.1039/d1nr05352c WOS Scopus РИНЦ OpenAlex AN PMID
Dates:
| Submitted: | Aug 15, 2021 |
| Accepted: | Sep 22, 2022 |
| Published print: | Oct 26, 2022 |
| Published online: | Oct 26, 2022 |
Identifiers:
| ≡ Web of science: | WOS:000871887800001 |
| ≡ Scopus: | 2-s2.0-85141467923 |
| ≡ Elibrary: | 50357774 |
| ≡ OpenAlex: | W4307432495 |
| ≡ Chemical Abstracts: | 2022:2712398 |
| ≡ PMID: | 36285473 |