Molecular dynamics simulations of delayed Ostwald ripening during Ni catalyst growth on complex topological SiO2 substrates

ZL Luo and HA Yang and S Wang and YZ Tang and Y He and BY Cao, COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 724, 137347 (2025).

DOI: 10.1016/j.colsurfa.2025.137347

Ostwald ripening is an inevitable process during the preparation of catalysts, leading to an uneven particle size distribution of the catalyst particles. Preventing or controlling Ostwald ripening has always been a challenge in material preparation. This paper conducts molecular dynamics simulations of the deposition and aggregation process of Ni atoms on SiO2 substrates with different surface structures. The results show that by altering the substrate surface structure and increasing the Ehrlich-Schwoebel barrier (ESB), the Ostwald ripening process of Ni atoms can be delayed. At a 45 degrees incident angle, the growth of Ni atomic clusters in FS1 and RS2 shows a positive correlation with time. An optimal growth curve for Ni catalysts is predicted within the energy range of 7.65 x 10-degrees eV to 30 x 10-degrees eV in RS2, where the Ostwald ripening is effectively suppressed during Ni catalyst growth.

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