Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone

Kayanuma, Megumi; Choe, Yoong‐Kee; Hagiwara, Takayuki; Kameda, Naoto; Shimoi, Yukihiro

doi:10.1021/acsomega.1c03326

Cited by 7 publications

(3 citation statements)

References 21 publications

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“…The interaction between O 3 and the -CH 3 surface groups predominantly results in the production of CO 2 and H 2 O (as indicated by the observed increase in H 2 O + in Figure 2a when using PAW). However, this interaction can also generate CH 4 [18,19], contributing to an elevated partial pressure of CH 4 + during the PAW pulse. Similarly, the reaction of H 2 O 2 with the surface yields CH 4 [12], further augmenting the partial pressure of this by-product.…”

Section: Resultsmentioning

confidence: 99%

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Chaves,

Chiappim,

Karnopp

et al. 2023

Nanomaterials

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In the presented study, a novel approach for thermal atomic layer deposition (ALD) of Al2O3 thin films using plasma-activated water (PAW) as a co-reactant, replacing traditionally employed deionized (DI) water, is introduced. Utilizing ex situ PAW achieves up to a 16.4% increase in the growth per cycle (GPC) of Al2O3 films, consistent with results from plasma-enhanced atomic layer deposition (PEALD). Time-resolved mass spectrometry (TRMS) revealed disparities in CH4 partial pressures between TMA reactions with DI water and PAW, with PAW demonstrating enhanced reactivity. Reactive oxygen species (ROS), namely H2O2 and O3, are posited to activate Si(100) substrate sites, thereby improving GPC and film quality. Specifically, Al2O3 films grown with PAW pH = 3.1 displayed optimal stoichiometry, reduced carbon content, and an expanded bandgap. This study thus establishes “PAW-ALD” as a descriptor for this ALD variation and highlights the significance of comprehensive assessments of PAW in ALD processes.

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Section: Resultsmentioning

confidence: 99%

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Chaves,

Chiappim,

Karnopp

et al. 2023

Nanomaterials

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“…All Al 2 O 3 thin films in G3 show an oxygen-deficient state. Deposition parameters, such as high deposition temperature and long plasma oxygen exposure time, can, on the one hand, promote the decomposition of PEALD reaction intermediates , carbonates, thereby reducing impurity defects. However, on the other hand, they may lead to more oxygen vacancies in the Al 2 O 3 thin films, aggravating the stoichiometric mismatch.…”

Section: Resultsmentioning

confidence: 99%

Comparative Study of Plasma-Enhanced-Atomic-Layer-Deposited Al₂O₃/HfO₂/SiO₂ and HfO₂/Al₂O₃/SiO₂ Trilayers for Ultraviolet Laser Applications

Lin,

Song,

Liu

et al. 2024

ACS Appl. Mater. Interfaces

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High-performance thin films combining large optical bandgap Al 2 O 3 and high refractive index HfO 2 are excellent components for constructing the next generation of laser systems with enhanced output power. However, the growth of low-defect plasma-enhanced-atomic-layer-deposited (PEALD) Al 2 O 3 for highpower laser applications and its combination with HfO 2 and SiO 2 materials commonly used in high-power laser thin films still face challenges, such as how to minimize defects, especially interface defects. In this work, substrate-layer interface defects in Al 2 O 3 single-layer thin films, layer-layer interface defects in Al 2 O 3 -based bilayer and trilayer thin films, and their effects on the laser-induced damage threshold (LIDT) were investigated via capacitance− voltage (C−V) measurements. The experimental results show that by optimizing the deposition parameters, specifically the deposition temperature, precursor exposure time, and plasma oxygen exposure time, Al 2 O 3 thin films with low defect density and high LIDT can be obtained. Two trilayer anti-reflection (AR) thin film structures, Al 2 O 3 /HfO 2 /SiO 2 and HfO 2 /Al 2 O 3 /SiO 2 , were then prepared and compared. The trilayer AR thin film with Al 2 O 3 / HfO 2 /SiO 2 structure exhibits a lower interface defect density, better interface bonding performance, and an increase in LIDT by approximately 2.8 times. We believe these results provide guidance for the control of interface defects and the design of thin film structures and will benefit many thin film optics for laser applications. KEYWORDS: plasma-enhanced atomic layer deposition, Al 2 O 3 single-layer thin film, Al 2 O 3 /HfO 2 /SiO 2 trilayer, laser-induced damage threshold, interface defect, interface bonding performance

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“…Recently, reaction mechanisms between TMA and O 3 were investigated using DFT. Some plausible intermediates of those reactions were found to be methoxy, formate, bicarbonate, and hydroxyl intermediates [ 160 ].…”

Section: Theoretical Studies On Aldmentioning

confidence: 99%

Recent Advances in Theoretical Development of Thermal Atomic Layer Deposition: A Review

et al. 2022

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Atomic layer deposition (ALD) is a vapor-phase deposition technique that has attracted increasing attention from both experimentalists and theoreticians in the last few decades. ALD is well-known to produce conformal, uniform, and pinhole-free thin films across the surface of substrates. Due to these advantages, ALD has found many engineering and biomedical applications. However, drawbacks of ALD should be considered. For example, the reaction mechanisms cannot be thoroughly understood through experiments. Moreover, ALD conditions such as materials, pulse and purge durations, and temperature should be optimized for every experiment. It is practically impossible to perform many experiments to find materials and deposition conditions that achieve a thin film with desired applications. Additionally, only existing materials can be tested experimentally, which are often expensive and hazardous, and their use should be minimized. To overcome ALD limitations, theoretical methods are beneficial and essential complements to experimental data. Recently, theoretical approaches have been reported to model, predict, and optimize different ALD aspects, such as materials, mechanisms, and deposition characteristics. Those methods can be validated using a different theoretical approach or a few knowledge-based experiments. This review focuses on recent computational advances in thermal ALD and discusses how theoretical methods can make experiments more efficient.

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Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone

Cited by 7 publications

References 21 publications

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Comparative Study of Plasma-Enhanced-Atomic-Layer-Deposited Al₂O₃/HfO₂/SiO₂ and HfO₂/Al₂O₃/SiO₂ Trilayers for Ultraviolet Laser Applications

Recent Advances in Theoretical Development of Thermal Atomic Layer Deposition: A Review

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Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone

Cited by 7 publications

References 21 publications

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Novel Energetic Co-Reactant for Thermal Oxide Atomic Layer Deposition: The Impact of Plasma-Activated Water on Al2O3 Film Growth

Comparative Study of Plasma-Enhanced-Atomic-Layer-Deposited Al2O3/HfO2/SiO2 and HfO2/Al2O3/SiO2 Trilayers for Ultraviolet Laser Applications

Recent Advances in Theoretical Development of Thermal Atomic Layer Deposition: A Review

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Comparative Study of Plasma-Enhanced-Atomic-Layer-Deposited Al₂O₃/HfO₂/SiO₂ and HfO₂/Al₂O₃/SiO₂ Trilayers for Ultraviolet Laser Applications