Issue 43, 2022
From the journal:

Nanoscale

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

Vladimir P. Zhdanov ORCID logo ab  

a Department of Physics, Chalmers University of Technology, Göteborg, Sweden
E-mail: zhdanov@chalmers.se

b Boreskov Institute of Catalysis, Russian Academy of Sciences, Novosibirsk, Russia

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.

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Article information

DOI
https://doi.org/10.1039/D1NR05352C
Article type
Comment
Submitted
15 Aug 2021
Accepted
26 Sep 2022
First published
26 Oct 2022

Nanoscale, 2022,14, 16321-16323

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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

V. P. Zhdanov, Nanoscale, 2022, 14, 16321 DOI: 10.1039/D1NR05352C

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