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Analysis of CAtalyst-Referred etching by means of first-principles calculations

Research Project

Project/Area Number 22560110
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Production engineering/Processing studies
Research InstitutionOsaka University

Principal Investigator

INAGAKI Kouji  大阪大学, 大学院・工学研究科, 助教 (50273579)

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)
Project Period (FY) 2010 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2011: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2010: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords超精密加工 / 触媒援用加工法 / ワイドバンドギャップ半導体 / SiC / GaN / エッチング / 第一原理計算 / 触媒援用加工 / 解離吸着 / 触媒 / 反応バリア / 触媒援用化学エッチング / CARE / Pt / HF / 第一原理分子動力学シミュレーション / 活性化エネルギー / NEB法
Research Abstract

In this research, based on first-principles molecular-dynamicscalculation, SiC and GaN etching by highly-concentrated HF solution and pure water are analyzed, respectively. In both cases, dissociative adsorption reactions are simulated as an initial key stage of etching reaction. Reaction barriers for the dissociative adsorption of HF molecule on Platinum surface are clarified to be important to reduce barrier.

Report

(4 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Annual Research Report
  • 2010 Annual Research Report
  • Research Products

    (32 results)

All 2013 2012 2011 2010

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (22 results)

  • [Journal Article] First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces2013

    • Author(s)
      M. Oue K. Inagaki K. Yamauchi Y. Morikawa
    • Journal Title

      Nanoscale Research Letters

      Volume: 8 Pages: 232-232

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces2013

    • Author(s)
      M. Oue
    • Journal Title

      Nanoscale Research Letters

      Volume: 未定

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-Resolution TEM Observation of 4H-SiC (0001) Surface Planarized by Catalyst-Referred Etching2012

    • Author(s)
      B. V. Pho, S. Sadakuni, T. Okamoto, R. Sagawa, K. Arima, Y. Sano, and K. Yamauchi
    • Journal Title

      Materials Science Forum

      Volume: 717-720 Pages: 873-876

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study of Reaction Process of SiC and HF Molecules in Catalyst-Referred Etching2012

    • Author(s)
      P.V. Bui, K. Inagaki, Y. Sano, K. Yamauchi, Y. Morikawa
    • Journal Title

      Engineering Materials

      Volume: 523-524 Pages: 173-177

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] First-principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge2012

    • Author(s)
      K. Inagaki, B. V. Pho, K. Yamauchi and Y. Morikawa
    • Journal Title

      Materials Science Forum

      Volume: 717-720 Pages: 581-584

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study2012

    • Author(s)
      P. V. Bui
    • Journal Title

      Current Applied Physics

      Volume: 12 Pages: S42-S46

    • DOI

      10.1016/j.cap.2012.04.005

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Improvement of Removal Rate in Abrasive-free Planarization of 4H-SiC Substrates Using Catalytic Platinum and Hydrofluoric Acid2012

    • Author(s)
      T.Okamoto, Y.Sano, K.Tachibana, B.V.Pho, K.Arima, K.Inagaki, K.Yagi, J.Murata, S.Sadakuni, H.Asano, A.Isohashi, K.Yamauchi
    • Journal Title

      Jpn.J.Appl.Phys.

      Volume: 51 Issue: 4R Pages: 46501-46501

    • DOI

      10.1143/jjap.51.046501

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Single-nanometer focusing of hard x-rays by Kirkpatrick-Baez mirrors2011

    • Author(s)
      K.Yamauchi, et al.
    • Journal Title

      J.Phys. : Condens.Matter

      Volume: 23 Issue: 39 Pages: 394206-394206

    • DOI

      10.1088/0953-8984/23/39/394206

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] An atomically controlled Si film formation process at low temperatures using atmospheric-pressure VHF plasma2011

    • Author(s)
      K. Yasutake, H. Kakiuchi, H. Ohmi, K. Inagaki, Y. Oshikane and M. Nakano
    • Journal Title

      J. Phys.: Condens. Matter

      Volume: vol.23 Issue: 39 Pages: 1-22

    • DOI

      10.1088/0953-8984/23/39/394205

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Breaking the 10 nm barrier in hard-X-ray focusing2010

    • Author(s)
      H.Mimura, (6名略), K.Inagaki, (5名略)T.Ishikawa, K.Yamauchi
    • Journal Title

      NATURE PHYSICS

      Volume: 2 Pages: 122-125

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] 第一原理計算によるHF水溶液のアニーリング2012

    • Author(s)
      弘瀬大地, 稲垣耕司, 森川良忠
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      兵庫県西宮市
    • Year and Date
      2012-03-26
    • Related Report
      2011 Annual Research Report
  • [Presentation] Pt触媒を用いた水分子によるGaN表面エッチング現象初期過程の第一原理計算による解明2012

    • Author(s)
      大上まり, 稲垣耕司, 山内和人, 森川良忠
    • Organizer
      応用物理学会2012年度春季大会
    • Place of Presentation
      東京都新宿区
    • Year and Date
      2012-03-17
    • Related Report
      2011 Annual Research Report
  • [Presentation] HラジカルによるSi表面プラズマェッチングにおける表面H拡散の役割2012

    • Author(s)
      稲垣耕司, 森川良忠, 安武潔
    • Organizer
      応用物理学会2012年度春季大会
    • Place of Presentation
      東京都新宿区
    • Year and Date
      2012-03-16
    • Related Report
      2011 Annual Research Report
  • [Presentation] First- Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces2012

    • Author(s)
      K. Inagaki,M. Oue,B.V. Pho,D. Hirose,K. Yamauchi , and Y. Morikawa
    • Organizer
      Fifth International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理計算による GaN 表面エッチング現象初期過程の解明2012

    • Author(s)
      大上まり、稲垣耕司、山内和人、森川良忠
    • Organizer
      第73回応用物理学会学術講演会
    • Place of Presentation
      愛媛大学・松山大学
    • Related Report
      2012 Final Research Report
  • [Presentation] A Study of Terminated Species on 4H-SiC (0001) Surfaces Planarized using Hydrofluoric Acid2012

    • Author(s)
      P. V. Bui, S. Sadakuni, T. Okamoto, K. Arima, Y. Sano, K. Yamauchi
    • Organizer
      The 9th European Conference on Silicon Carbide and Related Materials
    • Place of Presentation
      Saint-Petersburg, Russia
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理計算による HF 水溶液のアニーリング2012

    • Author(s)
      弘瀬大地,稲垣耕司,森川良忠
    • Organizer
      日本物理学会第67回年次大会
    • Place of Presentation
      関西学院大学
    • Related Report
      2012 Final Research Report
  • [Presentation] First-principles Analysis of the Initial Stage of the Chemical Etching Process of GaN2012

    • Author(s)
      M Oue
    • Organizer
      8th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      Osaka Japan
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces2012

    • Author(s)
      K. Inagaki
    • Organizer
      Fifth International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka Japan
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Analysis of CARE Process of SiC2012

    • Author(s)
      D. Hirose
    • Organizer
      Fifth International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka Japan
    • Related Report
      2012 Annual Research Report
  • [Presentation] First-Principles Study of Platinum Catalyst-Assisted Hydrogen Fluoride Adsorption on SiC Surfaces2012

    • Author(s)
      B.V. Pho
    • Organizer
      Fifth International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka Japan
    • Related Report
      2012 Annual Research Report
  • [Presentation] 第一原理計算によるGaN表面エッチング現象初期過程の解明2012

    • Author(s)
      大上まり
    • Organizer
      2012年秋季 第73回応用物理学会学術講演会
    • Place of Presentation
      愛媛県松山市
    • Related Report
      2012 Annual Research Report
  • [Presentation] Crystallo- graphically highly-ordered GaN (0001) surface prepared by catalyst referred etching2011

    • Author(s)
      K. Yamauchi(invited)
    • Organizer
      IWBNS7
    • Place of Presentation
      Koyasan, Wakayama, Japan
    • Related Report
      2012 Final Research Report
  • [Presentation] 第一原理計算によるGaN(0001)表面の終端原子構造の解析2011

    • Author(s)
      大上まり, 稲垣耕司, 森川良忠
    • Organizer
      日本物理学会2011年年次大会
    • Place of Presentation
      新潟市
    • Related Report
      2010 Annual Research Report
  • [Presentation] HによるSi表面エッチングにおけるH終端Si(001)表面上でのH拡散の寄与2011

    • Author(s)
      稲垣耕司, 広瀬喜久治, 森川良忠, 安武潔
    • Organizer
      日本物理学会2011年年次大会
    • Place of Presentation
      新潟市
    • Related Report
      2010 Annual Research Report
  • [Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション2011

    • Author(s)
      井関信太郎, 稲垣耕司, 森川良忠
    • Organizer
      日本物理学会2011年年次大会
    • Place of Presentation
      新潟市
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-principles Analysis Silicon Etching by Hydrogen Radical-Diffusion of Absorbed Hydrogen Atom on Si(001)2x1 Surface-2010

    • Author(s)
      K.Inagaki K.Hirose Y.Morikawa, K.Yasutake
    • Organizer
      Third International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Suita, Japan
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-Principles Study of CO Oxidation on Carbon Alloy Catalysts2010

    • Author(s)
      S.Iseki, K.Inagaki, Y.Morikawa
    • Organizer
      Third International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Suita, Japan
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] First-Principles study of electron transfer from 4H-SiC(0001) to Pt2010

    • Author(s)
      S.Iseki, K.Inagaki, K.Yamauchi, Y.Morikawa
    • Organizer
      International Conference on Core Research and Engineering Science of Advanced Materials
    • Place of Presentation
      Osaka, Japan
    • Related Report
      2010 Annual Research Report
  • [Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション2010

    • Author(s)
      井関信太郎、稲垣耕司、森川良忠
    • Organizer
      第4回分子科学討論会2010大阪
    • Place of Presentation
      大阪府豊中市
    • Related Report
      2010 Annual Research Report
  • [Presentation] H終端2x1Si(001)表面に過剰吸着したH原子の拡散過程2010

    • Author(s)
      稲垣耕司、広瀬喜久治、安武潔
    • Organizer
      日本物理学会2010年秋季大会
    • Place of Presentation
      長崎市
    • Related Report
      2010 Annual Research Report
  • [Presentation] 水素終端化Si(001)2x1表面に過剰吸着したHの拡散2010

    • Author(s)
      稲垣耕司、広瀬喜久治、安武潔
    • Organizer
      日本物理学会2010年秋季大会
    • Place of Presentation
      大阪市
    • Related Report
      2010 Annual Research Report

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Published: 2010-08-23   Modified: 2019-07-29  

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