Analysis of reaction process in Catalyst-refered etching by means of first-principles calculations
| Project/Area Number |
15K06505
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Material processing/Microstructural control engineering
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| Research Institution | Osaka University |
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Principal Investigator |
Inagaki Kouji 大阪大学, 工学研究科, 助教 (50273579)
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| Co-Investigator(Renkei-kenkyūsha) |
MORIKAWA Yoshitada 大阪大学, 大学院工学研究科, 教授 (80358184)
YAMAUCHI Kazuto 大阪大学, 大学院工学研究科, 教授 (10174575)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| Keywords | 触媒援用加工法 / シリコンカーバイド / 窒化ガリウム / エッチング / 水分子 / メタダイナミックス / 触媒反応 / Pt / NEB / GaN / SiC / H2O / HF / 解離吸着 |
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| Outline of Final Research Achievements |
Catalyst-referred etching (CARE) is considered as a promising method to smoothen hard-to-work materials, like wideband gap semiconductors, with damage-free and efficient properties. In this project, to provide appropriate guidance on improvement research of the method, etching reaction mechanisms in the atomistic level are analyzed, as well as we are proactive in improvement of analyzing method such as meta-dynamics. We analyzed SiC-H2O-Pt and GaN―H2O－Pt systems where etchant chemical is replaced from hydrogen fluoride applied in previous research to water molecule as a safety material. The reactions of dissociative adsorption of water molecule are analyzed by means of the first-principles calculations. The reaction barriers are found to be sufficiently low which is good agreement with experimental results.
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Report
(4 results)
Research Products
(9 results)
