| 研究開始時の研究の概要 |
Three different codes are used; Gaussian, Turbomole, and STATE code to investigate the interaction of different organic molecules with magnetic materials (Ni, Co, and Fe) to establish an ALE processes. The effect of the system temperature will be studied by running MD-DFT calculations, which I expect it will provide more realistic model for ALE processes. The promising simulation results will be confirmed experimentally. Moreover, a CAPP jet system will be developed to study the possibility of developing ALE processes of magnetic materials at atmospheric pressure.
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| 研究実績の概要 |
The mechanisms of thermal atomic layer etching (ALE) for metals have been elucidated in this study. The chemical interaction of Beta-diketon, i.e., hexafluoroacetylacetone (hfacH), trifluoroacetylacetone (tfacH), and acetylacetone (acacH), with nickel (Ni) and nickel oxide (NiO) have been investigated. Then, the best etchant, which is hfacH molecules, have been nominated and examined with a magnesium oxide (MgO) surface and we could successfully generalize the investigated mechanism for all metals using density functional theory (DFT) simulation. Because of the pandemic COVID-19, I could not travel to Prof. Kessel lab in Eindhoven University of Technology (TU/e) to run some experiments. However, I will writing and publishing the remaining results during my new fellowship.
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