Investigating atomic layer deposition characteristics in multi-outlet viscous flow reactors through reactor scale simulations

Shaeri, Mohammad Reza; Jen, Tien Chien; Yuan, Chris; Behnia, Masud

doi:10.1016/j.ijheatmasstransfer.2015.05.079

Cited by 20 publications

(22 citation statements)

References 44 publications

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“…High uniformity and conformity of the deposited film can thus be achieved under optimized conditions (George, 2010). These characteristics make ALD a favorable tool to produce ultra-thin films for a variety of applications Shaeri et al, 2015Shaeri et al, , 2004. Both reactants satisfy the chemical and thermodynamic criteria for an ALD precursor, as they are volatile and thermally stable for a range of temperatures (Puurunen, 2005) and can involve self-limiting surface reactions (Higashi and Fleming, 1989).…”

Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

“…As these phenomena are difficult to study experimentally, numerical simulations in the reactor have emerged as a powerful tool for the process analysis of ALD reactors, complementary to the surface reactions analysis by DFT (Pan et al, 2015a(Pan et al, ,b, 2016Xie et al, 2015Xie et al, , 2016Deng et al, 2016;Shaeri et al, 2015Shaeri et al, , 2004. Indeed, reactor scale modelling via Computational Fluid Dynamics (CFD) (Xenidou et al, 2010;Zahi et al, 2010) can provide useful insight regarding transport phenomena inside an ALD reactor, such as the temperature field along the chamber, the local gas velocity, and the reactant distribution on the substrate during the reactant exposure steps.…”

Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

“…Pan et al (2015b) analyzed the process in order to find the optimal arrangement for a multi-wafer reactor setup. Shaeri et al (2015Shaeri et al ( , 2004) studied different reactor designs to optimize the deposition large area substrates. A spatial ALD reactor, separating the reactants via the substrate position instead of time, was also studied via CFD simulations by Pan et al (2016).…”

Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

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Computational Fluid Dynamics simulation of the ALD of alumina from TMA and H2O in a commercial reactor

Gakis¹,

Vergnes²,

Scheid³

et al. 2018

Chemical Engineering Research and Design

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OATAO is an open access repository that collects the work of Toulouse researchers and makes it freely available over the web where possible. This is an author-deposited version published in : http://oatao. Introduction Atomic Layer Deposition (ALD) is a deposition technique, derived fromChemical Vapor Deposition (Johnson et al., 2014), able to deposit highly conformal and uniform material films onto a substrate. ALD is based on the sequential exposure of a surface to two reactants, with which the surface reacts through self-terminating reactions (Johnson et al., 2014;Puurunen, 2005;George, 2010), inside a reactor chamber. The self-limiting nature of the surface reactions in the Atomic Layer Deposition (ALD) process ensures a high control over the deposited material film thickness down to the monolayer level (George, 2010). High uniformity and conformity of the deposited film can thus be achieved under optimized conditions (George, 2010). These characteristics make ALD a favorable tool to produce ultra-thin films for a variety of applications * Corresponding author. E-mail address: brigitte.caussat@ensiacet.fr (B. Caussat).in microelectronics, optoelectronics, catalysis, renewable energy and more (Johnson et al., 2014). However, ALD is a complex technique since it depends on the nature of the reactants and on the process conditions, and for this reason, research regarding the surface reactions and growth mechanisms is still ongoing. One of the most studied ALD processes is the deposition of Al 2 O 3 films from tri-methyl aluminum (Al(CH 3 ) 3 , TMA) and H 2 O vapor

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Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

Section: Introduction Atomic Layer Deposition (Ald) Is a Deposition Tmentioning

confidence: 99%

See 1 more Smart Citation

Computational Fluid Dynamics simulation of the ALD of alumina from TMA and H2O in a commercial reactor

Gakis¹,

Vergnes²,

Scheid³

et al. 2018

Chemical Engineering Research and Design

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“…The multi-scale process includes atomic bond formation, species chemisorption/adsorption, chemical kinetics and film deposition. It also includes a reactor-scale that involves material selections/interactions, geometry effects, and fluid and energy transport on a macroscopic level [70][71][72][73][74][75][76][77]. A challenge of the feature and reactor scales is that neither addresses the other limitations placed on the prediction capability of the deposition process over the substrates [78][79][80][81].…”

Section: Methods For Studying Aldmentioning

confidence: 99%

“…The process of ZnO thin film deposition by an ALD process is illustrated in Figure 1. As it is seen in Figure 1, the ALD process for two precursors are usually used in depositing metal oxide films; one is the metal source and the other is the oxygen source (oxidant) [10].…”

Section: Introductionmentioning

confidence: 99%

New development of atomic layer deposition: processes, methods and applications

Oviroh

Akbarzadeh

Pan

et al. 2019

Science and Technology of Advanced Materials

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200

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Atomic layer deposition (ALD) is an ultra-thin film deposition technique that has found many applications owing to its distinct abilities. They include uniform deposition of conformal films with controllable thickness, even on complex three-dimensional surfaces, and can improve the efficiency of electronic devices. This technology has attracted significant interest both for fundamental understanding how the new functional materials can be synthesized by ALD and for numerous practical applications, particularly in advanced nanopatterning for microelectronics, energy storage systems, desalinations, catalysis and medical fields. This review introduces the progress made in ALD, both for computational and experimental methodologies, and provides an outlook of this emerging technology in comparison with other film deposition methods. It discusses experimental approaches and factors that affect the deposition and presents simulation methods, such as molecular dynamics and computational fluid dynamics, which help determine and predict effective ways to optimize ALD processes, hence enabling the reduction in cost, energy waste and adverse environmental impacts. Specific examples are chosen to illustrate the progress in ALD processes and applications that showed a considerable impact on other technologies.

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Numerical simulation of atomic layer deposition for thin deposit formation in a mesoporous substrate

et al. 2021

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ZnO deposition in porous γ‐Al2O3 via atomic layer deposition (ALD) is the critical first step for the fabrication of zeolitic imidazolate framework membranes using the ligand‐induced perm‐selectivation process (Science, 361 (2018), 1008–1011). A detailed computational fluid dynamics (CFD) model of the ALD reactor is developed using a finite‐volume‐based code and validated. It accounts for the transport processes within the feeding system and reaction chamber. The simulated precursor spatiotemporal profiles assuming no ALD reaction were used as boundary conditions in modeling diethylzinc reaction/diffusion in porous γ‐Al2O3, the predictions of which agreed with experimental electron microscopy measurements. Further simulations confirmed that the present deposition flux is much less than the upper limit of flux, below which the decoupling of reactor/substrate is an accurate assumption. The modeling approach demonstrated here allows for the design of ALD processes for thin‐film membrane formation including the synthesis of metal–organic framework membranes.

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Investigating atomic layer deposition characteristics in multi-outlet viscous flow reactors through reactor scale simulations

Cited by 20 publications

References 44 publications

Computational Fluid Dynamics simulation of the ALD of alumina from TMA and H2O in a commercial reactor

Computational Fluid Dynamics simulation of the ALD of alumina from TMA and H2O in a commercial reactor

New development of atomic layer deposition: processes, methods and applications

Numerical simulation of atomic layer deposition for thin deposit formation in a mesoporous substrate

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