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A combined multiscale modeling and experimental study on surface modification of high-volume micro-nanoparticles with atomic accuracy

Zoushuang Li, Junren Xiang, Xiao Liu, Xiaobo Li, Lijie Li Orcid Logo, Bin Shan, Rong Chen Orcid Logo

International Journal of Extreme Manufacturing, Volume: 4, Issue: 2, Start page: 025101

Swansea University Author: Lijie Li Orcid Logo

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Abstract

Surface modification for micro-nanoparticles at the atomic and close-to-atomic scale is of great importance to enhance their performance in various applications, including high-volume battery, persistent luminescence, etc. Fluidized bed atomic layer deposition (FB-ALD) is a promising atomic-scale ma...

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Published in: International Journal of Extreme Manufacturing
ISSN: 2631-8644 2631-7990
Published: IOP Publishing 2022
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa59327
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Abstract: Surface modification for micro-nanoparticles at the atomic and close-to-atomic scale is of great importance to enhance their performance in various applications, including high-volume battery, persistent luminescence, etc. Fluidized bed atomic layer deposition (FB-ALD) is a promising atomic-scale manufacturing technology that offers ultrathin films on large amounts of particulate materials. Nevertheless, nanoparticles tend to agglomerate due to the strong cohesive forces, which is much unfavorable to the film conformality and also hinders their real applications. In this paper, the particle fluidization and coating process in an ultrasonic vibration-assisted FB-ALD reactor is numerically investigated from micro-scale to macro-scale through the multiscale computational fluid dynamics and discrete element method (CFD-DEM) modelling with experimental verification. Various vibration amplitudes and frequencies are investigated in terms of their effects on the fluid dynamics, distribution of particle velocity and concentration, as well as the size of agglomerates. Results show that the fluid turbulent kinetic energy, which is the key power source for the particles to obtain the kinetic energy for overcoming the interparticle agglomeration forces, can be strengthened obviously by the ultrasonic vibration. Besides, the application of ultrasonic vibration is found to reduce the mean agglomerate size in the fluidized bed. This is bound to facilitate the heat transfer and precursor diffusion in the entire FB-ALD reactor and the agglomerates, which can largely shorten the coating time and improve the film conformality as well as precursor utilization. The simulation results also agree well with our battery experimental results, verifying the validity of the multiscale CFD-DEM model. This work has provided momentous guidance to the mass manufacturing of atomic-scale particle coating from lab-scale to industrial applications.
College: Faculty of Science and Engineering
Funders: This work is supported by the National Natural Science Foundation of China (51835005 and 51911540476), National Key Research and Development Program of China (2020YFB2010401), Hubei Province Natural Science Foundation for innovative research groups (2020CFA030), Independent Innovation Research Fund of HUST (2019kfyXMBZ025), and Tencent Foundation. Lijie Li would like to acknowledge the Engineering and Physical Sciences Research Council project (EP/T019085/1).
Issue: 2
Start Page: 025101