Simulation of atomic layer deposition on nanoparticle agglomerates

Jin, Wenjie; Kleijn, Chris R.; Ommen, J. Ruud van

doi:10.1116/1.4968548

Cited by 8 publications

(6 citation statements)

References 46 publications

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“…ALD technique is advantageous for uniform deposition of conformal coating with controllable thickness on CAM particles [195]. Mechanistic models based on analytical correlations [196,197], DFT [198][199][200], MD [201], MC [197,202], CFD [203] have been applied to investigate the ALD process. Whereas, DEM has been employed to model mechanofusion based dry particle coating [204][205][206].…”

Section: Particle Coatingmentioning

confidence: 99%

“…The exposure time required to complete the coating increases with increasing aspect ratio of the cylindrical hole. This model was further modified for coating on agglomerates of nanoparticles [197]. Fluidized bed reactor based ALD coating of Al 2 O 3 on SiO 2 nanoparticles has been modeled though CFD and analytical correlations [203].…”

Section: Particle Coatingmentioning

confidence: 99%

“…Resulting precursor utilization as a function of fluidizing velocity could be used to optimize the coating process. Stochastic MC method has proved useful in predicting coating coverage on 3D structures [202] and agglomerated nanoparticles [197]. Coating of Al 2 O 3 on SiO 2 nanoparticles was investigated.…”

Section: Particle Coatingmentioning

confidence: 99%

“…With increasing number of particles in the agglomerate, the saturation time increased while the coating coverage decreased (figure 19(b)). [197], with the permission of AIP Publishing.…”

Section: Particle Coatingmentioning

confidence: 99%

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Status and outlook for lithium-ion battery cathode material synthesis and the application of mechanistic modeling

Pardikar

Entwistle

et al. 2023

J. Phys. Energy

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This work reviews different techniques available for the synthesis and modification of cathodeactive material particles used in Li-ion batteries. The synthesis techniques are analyzed in termsof processes involved and product particle structure. The knowledge gap in the process-particlestructure relationship is identified. Many of these processes are employed in other similarindustries; hence, parallel insights and knowledge transfer can be applied to battery materials.Here, we discuss examples of applications of different mechanistic models outside the batteryliterature and identify similar potential applications for the synthesis of cathode active materials.We propose that the widespread implementation of such mechanistic models will increase theunderstanding of the process-particle structure relationship. Such understanding will providebetter control over the cathode active material synthesis technique and open doors to the precisetailoring of product particle morphologies favorable for enhanced electrochemical performance.

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Section: Particle Coatingmentioning

confidence: 99%

Section: Particle Coatingmentioning

confidence: 99%

Section: Particle Coatingmentioning

confidence: 99%

“…With increasing number of particles in the agglomerate, the saturation time increased while the coating coverage decreased (figure 19(b)). [197], with the permission of AIP Publishing.…”

Section: Particle Coatingmentioning

confidence: 99%

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Status and outlook for lithium-ion battery cathode material synthesis and the application of mechanistic modeling

Pardikar

Entwistle

et al. 2023

J. Phys. Energy

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“…In another review [12], van Ommen comes to the disputable conclusion of NP-scale mixing having being achieved only in [16], due to microjets being superior to other fluidization assistance methods and the specific microjets from 127-508 µm nozzles being superior to microjets from larger bores. In a latter work from his group [26], sub-agglomerate mixing and dynamic reorganization are, indirectly, denied. Indeed, significant inhibition of ALD surface reactions is calculated by diffusion into large FB agglomerates made of large (90 nm) NPs, but such resistances would not exist in case of inner particles (or at least clusters) repeatedly becoming outer particles during the process.…”

Section: Introductionmentioning

confidence: 99%

Homo and Hetero agglomerate formation of nanoparticles in a spouted bed

Proceedings of the 22nd International Drying Symposium on Drying Technology - IDS '22

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Hetero agglomerates of nanoparticles (NPs) can exhibit novel and superior properties compared to their pure components. In fluidized beds (FBs), cohesion in fine powders (Geldart group C) have long been seen as a problem [1]. Cohesion is a chance for fluidizing NPs in form of agglomerates. Some nano powders fluidize smoothly and homogeneously in this way, like large particles in liquids (APF: agglomerate particle fluidization), however in other cases heterogeneous fluidization with bubbles (ABF: agglomerate bubbling fluidization) is observed [2]. The agglomerate breakage is of importance, because size, structure and properties of produced agglomerates are defined by the highly dynamic equilibrium between aggregation and breakage. The present study investigates the homo and hetero agglomerate formation of NPs in a spouted bed equipment. The spouted bed technique imposes a circular motion to the solids with additional feature of high air inlet flow velocity that can be adjusted by rolls and slits of variable width. It makes issues of expansion, Geldart group or APF/ABF behavior obsolete, because particles can be intensively mixed and processed quite independently from size, shape, or density [7]. The spouted bed has been used for coating agglomerates of NPs from a wet process in but not for the agglomeration itself. The inlet air velocities in a spouted bed are significantly higher and can be expected to exert an influence that promote agglomerate breakage and compaction. The main objective is to break path for the mixing of very small, fluidized particles to hetero agglomerates with new and superior properties. Bridge the gap between classical NPs and conventional fluidized particles by including submicron particles in the investigation. Additionally find the level of subagglomerate mixing and push the level towards individual NPs by application of non-flame, i.e., not sintered, raw material. Agglomerate morphology is ideally assessed by imaging technique that resolves single primary particles to identify the change of composition in different agglomerates.

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