Multiscale CFD modelling for conformal atomic layer deposition in high aspect ratio nanostructures

Chen, Y.Y.; Li, Zoushuang; Dai, Zhicheng; Yang, Fan; Wen, Yanwei; Shan, Bin; Chen, Rong

doi:10.1016/j.cej.2023.144944

Cited by 8 publications

(4 citation statements)

References 45 publications

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“…The competitive effect of surface deposition with cross-scale precursor mass transfer was also analyzed to study the coating conformality in high-aspectratio structures. Moreover, different aspect ratios and specific surface areas correspond to different precursor consumptions, which can be accurately predicted by the model [82], enabling the design and optimization of ALD reactors. The influence of the ALD process parameters on the deposition rate and precursor usage was thoroughly investigated, and the optimum speed range was determined.…”

Section: Multi-scale Simulations Of the Ald Manufacturing Processmentioning

confidence: 99%

Atomic layer deposition in advanced display technologies: from photoluminescence to encapsulation

Chen,

Cao,

Wen

et al. 2024

Int. J. Extrem. Manuf.

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Driven by the growing demand for next-generation displays, the evolution of advanced luminescent materials with exceptional photoelectric properties, such as quantum dots and phosphors are accelerating rapidly. Nevertheless, the primary challenge confronting the practical applications of these luminescent materials lie in meeting high durability requirements. This perspective delves into atomic layer deposition (ALD) developed for stabilizing luminescent materials, which is employed in the fabrication of flexible display devices through material modification, surface and interface engineering, encapsulation, cross-scale manufacturing, and simulations. To satisfy low-cost, high-efficiency, and high-reliability manufacturing requirements, equipments such as spatial ALD and fluidized ALD have been developed. The strategic approach establishes the groundwork for the development of ultra-stable luminescent materials, highly efficient LEDs, and thin-film packaging. This significantly enhances their potential applicability in LED illumination and backlight displays, marking a notable advancement in the display industry.

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Section: Multi-scale Simulations Of the Ald Manufacturing Processmentioning

confidence: 99%

Atomic layer deposition in advanced display technologies: from photoluminescence to encapsulation

Chen,

Cao,

Wen

et al. 2024

Int. J. Extrem. Manuf.

Self Cite

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“…It will depend on the precursor pressure and the surface reaction probability of the precursor. Furthermore, within high aspect ratio structures, the precursor incident flux can vary due to flow patterns or preferential depletion of one of the two precursors . In addition, the ALD process for composition control is more complex in terms of process parameters, such as the growth temperature window, because the gallium precursor has low reactivity at low temperatures .…”

Section: Ald For Film Growth Of Multicomponent Oxide Semiconductorsmentioning

confidence: 99%

“…Furthermore, within high aspect ratio structures, the precursor incident flux can vary due to flow patterns or preferential depletion of one of the two precursors. 40 In addition, the ALD process for composition control is more complex in terms of process parameters, such as the growth temperature window, because the gallium precursor has low reactivity at low temperatures. 41 Despite these problems, unique characteristics such as angstrom-level precise thickness control, excellent conformality, and low-temperature processing are essential for devices with complex structures such as 3D DRAM.…”

Section: ■ Introductionmentioning

confidence: 99%

Review of Material Properties of Oxide Semiconductor Thin Films Grown by Atomic Layer Deposition for Next-Generation 3D Dynamic Random-Access Memory Devices

Choi,

Lim,

Shin

et al. 2024

Chem. Mater.

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Dynamic random-access memory (DRAM) devices are essential volatile memory components in most digital devices. With the increasing demand for further low-power and high-density devices, the planar structure of DRAM devices encountered a "memory wall", ushering in an era of 3D DRAM architecture. InGaZnO-based thin-film transistors (IGZO TFTs) have a very low off current (<10 −22 A/μm), representing a solution for new channel materials for next-generation 3D DRAM devices. IGZO TFTs are back-end-of-line (BEOL)compatible, enabling them to move the DRAM peripheral circuitry under the memory array and integrate stacked DRAM cells. IGZO thin films have been widely studied for next-generation flat panel display applications. However, most studies have employed sputtering and solution-based systems, which hinder process compatibility in 3D DRAM devices with complex structures. Atomic layer deposition (ALD) is a viable alternative for solving these challenges. In this paper, we comprehensively review the reported Zn-, In-, Sn-, and Ga-based oxide semiconductors in terms of the ALD process (precursors, reactants, growth temperature, etc.), together with material properties such as purity, crystallinity, and electrical properties.

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“…After that, a general model for nanoconfined hydrogen flow is established according to weight superposition of the bulk gas flow and the surface diffusion of the adsorption hydrogen. After figuring out the hydrogen flow behavior at the nanopore scale, porous modeling using numerical simulation [29] or multiscale modeling [30] accounting for the nanoconfined hydrogen flow could characterize the hydrogen flow behavior at the core scale, which could have direct practical implications for geological hydrogen storage.…”

Section: Introductionmentioning

confidence: 99%

The Gaseous Hydrogen Transport Capacity in Nanopores Coupling Bulk Flow Mechanisms and Surface Diffusion: Integration of Profession and Innovation

Wan,

Lu,

Huang

et al. 2024

Processes

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Due to its unique chemical structure, hydrogen energy inherently has a high calorific value without reinforcing global warming, so it is expected to be a promising alternative energy source in the future. In this work, we focus on nanoconfined hydrogen flow performance, a critical issue in terms of geological hydrogen storage. For nanopores where the pore scale is comparable to hydrogen’s molecular size, the impact on hydrogen molecules exerted by the pore surface cannot be neglected, leading to the molecules near the surface gaining mobility and slipping on the surface. Furthermore, hydrogen adsorption takes place in the nanopores, and the way the adsorption molecules move is completely different from the bulk molecules. Hence, the frequently applied Navier–Stokes equation, based on the no-slip boundary condition and overlooking the contribution of the adsorption molecules, fails to precisely predict the hydrogen flow capacity in nanopores. In this paper, hydrogen molecules are classified as bulk molecules and adsorption molecules, and then models for the bulk hydrogen and the adsorption hydrogen are developed separately. In detail, the bulk hydrogen model considers the slip boundary and rarefaction effect characterized by the Knudsen number, while the flow of the adsorption hydrogen is driven by a chemical potential gradient, which is a function of pressure and the essential adsorption capacity. Subsequently, a general model for the hydrogen flow in nanopores is established through weight superposition of the bulk hydrogen flow as well as the adsorption hydrogen, and the key weight coefficients are determined according to the volume proportion of the identified area. The results indicate that (a) the surface diffusion of the adsorption molecules dominates the hydrogen flow capacity inside nanopores with a pore size of less than 5 nm; (b) improving the pressure benefits the bulk hydrogen flow and plays a detrimental role in reducing surface diffusion at a relatively large pressure range; (c) the nanoconfined hydrogen flow conductance with a strong adsorption capacity (PL = 2 MPa) could reach a value ten times greater than that with a weak adsorption capacity (PL = 10 MPa). This research provides a profound framework for exploring hydrogen flow behavior in ultra-tight strata related to adsorption phenomena.

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Multiscale CFD modelling for conformal atomic layer deposition in high aspect ratio nanostructures

Cited by 8 publications

References 45 publications

Atomic layer deposition in advanced display technologies: from photoluminescence to encapsulation

Atomic layer deposition in advanced display technologies: from photoluminescence to encapsulation

Review of Material Properties of Oxide Semiconductor Thin Films Grown by Atomic Layer Deposition for Next-Generation 3D Dynamic Random-Access Memory Devices

The Gaseous Hydrogen Transport Capacity in Nanopores Coupling Bulk Flow Mechanisms and Surface Diffusion: Integration of Profession and Innovation

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