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Quantum states of the hydrogen atom on solid surfaces, in sub-surfaces and in bulk crystals.

Research Project

Project/Area Number 19206007
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Thin film/Surface and interfacial physical properties
Research InstitutionOsaka University

Principal Investigator

KASAI Hideaki  Osaka University, 工学研究科, 教授 (00177354)

Co-Investigator(Kenkyū-buntansha) NAKANISHI Hiroshi  大阪大学, 工学研究科, 助教 (40237326)
OKANO Tastsuo  東京大学, 産業科学研究所, 教授 (60011219)
FUKUTANI Katsuyuki  東京大学, 産業科学研究所, 教授 (10228900)
ONAKA Kozaburo  大阪大学, 工学研究科, 准教授 (60127199)
YAGI Atsushi  大阪大学, 工学研究科, 教授 (70116119)
ITAZAKI Noriyoshi  大阪大学, 工学研究科, 助教 (90223073)
Project Period (FY) 2007 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥48,490,000 (Direct Cost: ¥37,300,000、Indirect Cost: ¥11,190,000)
Fiscal Year 2009: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000)
Fiscal Year 2008: ¥22,750,000 (Direct Cost: ¥17,500,000、Indirect Cost: ¥5,250,000)
Fiscal Year 2007: ¥19,240,000 (Direct Cost: ¥14,800,000、Indirect Cost: ¥4,440,000)
Keywords水素 / 表面 / サブ表面 / 量子ダイナミクス / 共鳴核反応法走査トンネル顕微鏡法 / 拡散 / 水素吸蔵 / 共鳴核反応法 / 走査トンネル顕微鏡法 / 表面・界面物性 / 放射線・X線・粒子線 / 計算物理 / 物性実験 / 水素吸着
Research Abstract

We developed the first principles quantum dynamics simulation methods and the nuclear resonance reaction measurement methods for the quantum states of the hydrogen on solid surfaces, in sub-surface and in bulk crystals. By use of our developed simulation and experimental methods, we studied the hydrogen quantum dynamics from surface to the subsurface areas of the Pd and Pd_3X (X=Ag, Cu, Ni) alloys.

Report

(4 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (120 results)

All 2010 2009 2008 2007 Other

All Journal Article (28 results) (of which Peer Reviewed: 11 results) Presentation (90 results) Book (1 results) Remarks (1 results)

  • [Journal Article] Adsorption properties of BF4-anions on graphene2010

    • Author(s)
      Yuji Kunisada, Hirofumi Kishi, Fajarisandi Dimas, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Takuma Asari, Shigeo Hayashi
    • Journal Title

      Japanese Journal of Applied Physics Vol.49

    • Related Report
      2009 Final Research Report
  • [Journal Article] Adsorption Properties of BF_4^- anions on graphene2010

    • Author(s)
      Yuji Kunisada, Hirofumi Kishi, Fajarisandi Dimas, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Takuma Asari, Shigeo Hayashi
    • Journal Title

      Japanese Journal of Applied Physics, Vol. 49, pp. 02BB04 (2010) 49

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Proton transport through aqueous Nafion membrane2009

    • Author(s)
      Do Ngoc Son, Hideaki Kasai
    • Journal Title

      The European Physical Journal E: Soft Matter and Biological Physics Vol.29

      Pages: 351-361

    • Related Report
      2009 Final Research Report
  • [Journal Article] Oxygen Reduction on Pt(111) Cathode of Fuel Cells2009

    • Author(s)
      Do Ngoc Son, Hiroshi Nakanishi, Melanie Yadao David, Hideaki Kasai
    • Journal Title

      Journal of the Physical Society of Japan Vol.78

      Pages: 114601-114601

    • NAID

      130005437169

    • Related Report
      2009 Final Research Report
  • [Journal Article] High-uptake graphene hydrogenation: a computational perspective2009

    • Author(s)
      Tanglaw Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Journal of Physics: Condensed Matter Vol.21

      Pages: 474219-474219

    • Related Report
      2009 Final Research Report
  • [Journal Article] Halogen-assisted Copper Atom Abstraction: A Computational Perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Japanese Journal of Applied Physics Vol.48

      Pages: 95501-95501

    • NAID

      40016743028

    • Related Report
      2009 Final Research Report
  • [Journal Article] Stability of three-hydrogen clusters on graphene2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
    • Journal Title

      Journal of the Physical Society of Japan Vol.78,No.3

      Pages: 35002-35002

    • NAID

      110007138837

    • Related Report
      2009 Final Research Report
  • [Journal Article] Proton transport through aqueous Nafion membrane2009

    • Author(s)
      Do Ngoc Son, Hideaki Kasai
    • Journal Title

      The European Physical Journal E : Soft Matter and Biological Physics, Vol. 29, pp. 351-361 (2009) 29

      Pages: 351-361

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Oxygen Reduction on Pt(111) Cathode of Fuel Cells2009

    • Author(s)
      Do Ngoc Son, Hiroshi Nakanishi, Melanie Yadao David, Hideaki Kasai
    • Journal Title

      Journal of the Physical Society of Japan, Vol. 78 pp. 114601 (2009) 78

      Pages: 114601-114601

    • NAID

      130005437169

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-uptake graphene hydrogenation : a computational perspective2009

    • Author(s)
      Tanglaw Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Journal of Physics : Condensed Matter, Vol. 21, pp 474219 (2009) 21

      Pages: 4747219-4747219

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Halogen-assisted Copper Atom Abstraction : A Computational Perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Japanese Journal of Applied Physics, Vol. 48, pp. 095501 (2009) 48

      Pages: 95501-95501

    • NAID

      40016743028

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Stability of three-hydrogen clusters on graphene2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
    • Journal Title

      Journal of the Physical Society of Japan, Vol. 78, No. 3, pp. 35002 (2009) 78

      Pages: 35002-35002

    • NAID

      110007138837

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pt monolayer on Fe(001) as an alternative cathode catalyst: a first principles study2008

    • Author(s)
      Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Surface and Interface Analysis 40

      Pages: 1085-1087

    • Related Report
      2009 Final Research Report
  • [Journal Article] Adsorption and diffusion property of a hydrogen atom on a Pd3Ag(111) surface2008

    • Author(s)
      Nobuki Ozawa, Nelson Buntimil Arboleda Jr., Hiroshi Nakanishi, Nobuaki, Shimoji, Hideaki Kasai
    • Journal Title

      Surface and Interface Analysis 40

      Pages: 1108-1112

    • Related Report
      2009 Final Research Report
  • [Journal Article] First principles study of hydrogen atom adsorption and diffusion on Pd3Ag(111) surface and in its subsurface2008

    • Author(s)
      Nobuki Ozawa, Nelson BuntimilArboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Surface Science 602

      Pages: 859-863

    • Related Report
      2009 Final Research Report
  • [Journal Article] Hydrogen absorption in oxide-supported palladium nanocrystals2008

    • Author(s)
      M. Wilde, K. Fukutani, M. Naschitzki, H.-J. Freund
    • Journal Title

      Phys. Rev. B 77

      Pages: 113412-113412

    • Related Report
      2009 Final Research Report
  • [Journal Article] A hydrogen storage layer on the surface of silicon nitride film2008

    • Author(s)
      Z. Liu, S. Ito, M. Wilde, K. Fukutani, I. Hirozawa, T. Koganezawa
    • Journal Title

      Appl. Phys. Lett. 92

      Pages: 192115-192115

    • Related Report
      2009 Final Research Report
  • [Journal Article] Mechanism of the ortho-para conversion of hydrogen on Ag surfaces2008

    • Author(s)
      Niki, T. Kawauchi, M. Matsumoto, K. Fukutani, T. Okano
    • Journal Title

      Phys. Rev. B 77

    • Related Report
      2009 Final Research Report
  • [Journal Article] Adsorption and diffusion property of a hydrogen atom on a Pd_3Ag(111)surface2008

    • Author(s)
      Nobuki Ozawa, Nelson Buntimil Arboleda Jr., Hiroshi Nakanishi, Nobuaki, Shimoji, Hideaki Kasai
    • Journal Title

      Surface and Interface Analysis Vol.40 Issue6-7

      Pages: 1108-1112

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First principles study of hydrogen atom adsorption and diffusion on Pd_3Ag(111)surface and in its subsurface2008

    • Author(s)
      Nobuki Ozawa, Nelson Buntimil Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Surface Science Vol.602 No.4

      Pages: 859-863

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First principles study of hydrogen atom adsorption and diffusion on Pd3Ag(111)surface and in its subsurface2008

    • Author(s)
      Nobuki Ozawa, Buntimil Nelson Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Surface Science 602

      Pages: 859-863

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum states of hydrogen atom motion on the Pd(111) surface and in the subsurface2007

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Journal of Physics: Condensed Matter 19

      Pages: 365214-365224

    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Journal Article] Identifying hydrogen atoms on graphite2007

    • Author(s)
      Tanglaw Roman, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
    • Journal Title

      Journal of the Physical Society of Japan 76

    • NAID

      210000106988

    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Journal Article] Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface-A first principles calculation2007

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Journal of Applied Physics 101

    • Related Report
      2009 Final Research Report
  • [Journal Article] Location of Hydrogen Adsorbed on Rh(111) Studied by Low-Energy Electron Diffraction and Nuclear Reaction Analysis2007

    • Author(s)
      M. Fukuoka, M. Okada, M. Matsumoto, S. Ogura, K. Fukutani, T. Kasai
    • Journal Title

      Physical Review B 75

    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Journal Article] Doppler analysis of hydrogen motion on Pt(111)-Sn surface alloys using the 1H(15N, αγ)12C nuclear reaction2007

    • Author(s)
      K. Fukutani, S. Ogura, M. Wilde, M. Matsumoto
    • Journal Title

      Nuclear Instruments and Methods in Physics Research B 261

      Pages: 494-497

    • Related Report
      2009 Final Research Report
  • [Journal Article] Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface -A first principles calculation2007

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Journal Title

      Journal of Applied Physics 101

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Doppler analysis of hydrogen motion on Pt(111)-Sn surface alloys using the ^1H(^15N, αγ)^<12>C nuclear reaction2007

    • Author(s)
      K. Fukutani, S. Ogura, M. Wilde, M. Matsumoto
    • Journal Title

      Nuclear Instruments and Methods in Physics Research B 261 (2007) 494 497 261

      Pages: 494-497

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Presentation] 水素と固体の相互作用(理論)2010

    • Author(s)
      笠井秀明
    • Organizer
      日本表面科学会・真空協会合同研究会"水素関連研究の最先端"
    • Place of Presentation
      名城大学名駅サテライト(名古屋市)
    • Year and Date
      2010-02-05
    • Related Report
      2009 Final Research Report
  • [Presentation] 水素と固体の相互作用(理論)2010

    • Author(s)
      笠井秀明(招待講演)
    • Organizer
      日本表面科学会・真空協会合同研究会"水素関連研究の最先端
    • Place of Presentation
      名城大学 名駅サテライト(名古屋市)
    • Year and Date
      2010-02-05
    • Related Report
      2009 Annual Research Report
  • [Presentation] 金属表面に吸着した水素分子の核スピン転換機構2010

    • Author(s)
      國貞雄治, Wilson Agerico Dino, 中西寛, 笠井秀明
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Oxygen Reduction over Pt(111) Surface2010

    • Author(s)
      Do Ngoc Son, Hideaki Kasai
    • Organizer
      2010 Annual Meeting of Asian CORE Program "Frontiers of Materials, Photo-, and Theoretical Molecular Sciences"
    • Place of Presentation
      Taipei, Taiwan
    • Related Report
      2009 Final Research Report
  • [Presentation] Oxygen Reduction over Pt(111) Surface2010

    • Author(s)
      Do Ngoc Son, Hideaki Kasai
    • Organizer
      2010 Annual Meeting of Asian CORE Program"Frontiers of Materials, Photo-, and Theoretical Molecular Sciences"
    • Place of Presentation
      Taipei, Taiwan
    • Related Report
      2009 Annual Research Report
  • [Presentation] Density Functional Theory Study on Oxaliplatin Hydrolysis and Complex Formation with Guanine, International Symposium of Electronic Structure Calculations-Theory2009

    • Author(s)
      Eric Magno Dona, Eben Sy Dy, Hideaki Kasai
    • Organizer
      Correlated and Large Scale Systems and Numerical Methods-
    • Place of Presentation
      東京大学(東京)
    • Related Report
      2009 Final Research Report
  • [Presentation] A study of incident hydrogen atom behaviors into the Pd(111) surface via quantum methods2009

    • Author(s)
      Nobuki Ozawa, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] Quantum simulation of STM image of magnetic atoms adsorbed on surface at high temperature2009

    • Author(s)
      Nghiem Thi Minh Hoa, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] Spectroscopic profiles of the interference between the Kondo effect and the spin ordering effect by the RKKY interaction2009

    • Author(s)
      Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] PtRu Anode Catalysts for Direct Methanol Fuel Cells: A Density Functional Study2009

    • Author(s)
      Wahyu Tri Cahyanto, Eben Sy Dy, Susan Aspera, Rachid Belkada, Hiroshi Nakanishi, Ellod Gyenge, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] Tuning Pt surface reactivity using ligand effects and strain on Pt/Cr and Pt/Ni systems: applications to fuel cell cathode catalyst design2009

    • Author(s)
      Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] Reaction Pathway for Hydronium Ion on Pt(111) surface in Oxygen Reduction2009

    • Author(s)
      Do Ngoc Son, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakanoshima Center
    • Related Report
      2009 Final Research Report
  • [Presentation] DFT Study of Oxygen Vacancy Formation in A Diesel Oxidation Catalyst: Pt/CeO2(111)2009

    • Author(s)
      Tien Quang Nguyen, Mary Clare Sisson Escano, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
    • Organizer
      AVS 56th International Symposium and Exhibition
    • Place of Presentation
      San Jose, U.S. A
    • Related Report
      2009 Final Research Report
  • [Presentation] Pd(111)表面及び表面内部領域に入射した水素原子の量子ダイナミクス2009

    • Author(s)
      尾澤伸樹, 中西寛, 笠井秀明
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Related Report
      2009 Final Research Report
  • [Presentation] 金属表面上での水素分子のオルソ・パラ転換ダイナミクス2009

    • Author(s)
      國貞雄治, Wilson Agerico Dino, 中西寛, 笠井秀明
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Related Report
      2009 Final Research Report
  • [Presentation] Computational Nano Materials Design From Basics to Actual Applications2009

    • Author(s)
      Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Final Research Report
  • [Presentation] Quantum dynamics of a hydrogen atom into the Pd(111) subsurface2009

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Oxygen Reduction in Presence of Hydronium Ion on Pt(111) surface2009

    • Author(s)
      Do Ngoc Son, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Hydrogen interaction with graphene and platinum: a computational perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      he 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Final Research Report
  • [Presentation] A Theoretical Study on the Formation and Binding Energies of Small Water Cluster Systems2009

    • Author(s)
      Handoko Setyo Kuncoro, Rachid Belkada, Melanie David, Eben Sy Dy, Hiroshi Nakanishi, Hermawan Kresno Dipojono, Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] 計算機マテリアルデザイン先端研究事例~脱貴金属ナノ粒子自己形成触媒2009

    • Author(s)
      岸浩史, 国方伸一, 中西寛, 笠井秀明
    • Organizer
      大阪大学サイバーメディアセンター平成21年度スーパーコンピュータシンポジウム
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Final Research Report
  • [Presentation] Observation of the two-impurity Kondo effect in the STS spectra2009

    • Author(s)
      Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      11th International Conference on Electronic Spectroscopy and Structure(ICESS11)
    • Place of Presentation
      Nara, Japan
    • Related Report
      2009 Final Research Report
  • [Presentation] Kondo resonance and magnetic properties of two magnetic atoms on a metal surface: QMC simulation2009

    • Author(s)
      Nghiem Thi Minh Hoa, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      11th International Conference on Electronic Spectroscopy and Structure(ICESS11)
    • Place of Presentation
      Nara, Japan
    • Related Report
      2009 Final Research Report
  • [Presentation] Pdクラスター表面近傍における量子様態の解析2009

    • Author(s)
      尾澤伸樹, 中西寛, 笠井秀明
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学(熊本市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] 第一原理計算によるTiO2表面上への水分子吸着過程の解析II2009

    • Author(s)
      足立駿介、中西寛、笠井秀明
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学(熊本市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] High-uptake graphene hydrogenation: a computational perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      13th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University(Manila, Philippines)
    • Related Report
      2009 Final Research Report
  • [Presentation] Tuning Pt surface reactivity using ligand effects and strain on Pt/Cr and Pt/Ni systems: applications to fuel cell cathode catalyst design2009

    • Author(s)
      Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      13th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University(Manila, Philippines)
    • Related Report
      2009 Final Research Report
  • [Presentation] Saturating graphene with chemisorbed hydrogen2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
    • Organizer
      20th European Conference on Diamond, Diamond- Like Materials, Carbon Nanotubes, and Nitrides
    • Place of Presentation
      Athens, Greece
    • Related Report
      2009 Final Research Report
  • [Presentation] The analysis of the intelligent catalyst in automotive emission control2009

    • Author(s)
      Hirofumi Kishi, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] OH Formation in Oxygen Reduction Reaction on Pt(111) Surface2009

    • Author(s)
      Do Ngoc Son, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Final Research Report
  • [Presentation] Dissociative adsorption of O2 on a single Pt atom coated g-Al2O3(111) and Pt(111) surfaces: A DFT study2009

    • Author(s)
      Masahiro Chikaishi, Rachid Belkada, Shinichi Kunikata, Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Final Research Report
  • [Presentation] Electronic Structure of Lithium Adsorbed on Montmorillonite: A Density Functional Theory (DFT Study)2009

    • Author(s)
      Triati Dewi Kencana Wungu, Susan Menez Aspera, Hermawan Kresno Dipojono, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Final Research Report
  • [Presentation] First Principles Study of Water Adsorption on Tri-s-Triazine (Heptazine) Based Graphitic Carbon Nitride (g-C3N4)2009

    • Author(s)
      Susan Menez Aspera, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] NO Adsorption on Pt4 Tetramers Coated g-Al2O3(111) Surface2009

    • Author(s)
      Ferensa Oemry, Mary Clare Sison Escano, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Density functional study of the methanol adsorption on the Platinum-Ruthenium alloy surfaces2009

    • Author(s)
      Wahyu Tri Cahyanto, Eben Sy Dy, Susan Aspera, Melanie David, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] 理論物性学入門-水素の豊富な物理とその周辺-2009

    • Author(s)
      笠井秀明
    • Organizer
      第4回水素若手研究会
    • Place of Presentation
      関西大学(吹田市)
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] Quantum dynamics behaviors of a hydrogen atom near the surfaces of bulk and crystalline Pd2009

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      The 26th European Conference On Surface Science(ECOSS26)
    • Place of Presentation
      Parma, Italy
    • Related Report
      2009 Final Research Report
  • [Presentation] STS Observation of the Interference between the Kondo effects and spin correlation effects by the RKKY interaction2009

    • Author(s)
      Emi Minamitani, Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      The 26th European Conference On Surface Science(ECOSS26)
    • Place of Presentation
      Parma, Italy
    • Related Report
      2009 Final Research Report
  • [Presentation] Density Functional Theory Study on Oxaliplat in Hydrolysis and Complex Formation with Guanine2009

    • Author(s)
      Eric Magno Dona, Eben Sy Dy, Hideaki Kasai
    • Organizer
      International Symposium of Electronic Structure Calculations -Theory, Correlated and Large Scale Systems and Numerical Methods-
    • Place of Presentation
      東京大学(東京)
    • Related Report
      2009 Annual Research Report
  • [Presentation] A study of incident hydrogen atom behaviors into the Pd(111) surface via quantum methods2009

    • Author(s)
      Nobuki Ozawa, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Quantum simulation of STM image of magnetic atoms adsorbed on surface at high temperature2009

    • Author(s)
      Nghiem Thi Minh Hoa, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Spectroscopic profiles of the interference between the Kondo effect and the spin ordering effect by the RKKY interaction2009

    • Author(s)
      Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] PtRu Anode Catalysts for Direct Methanol Fuel Cells : A Density Functional Study2009

    • Author(s)
      Wahyu Tri Cahyanto, Eben Sy Dy, Susan Aspera, Rachid Belkada, Hiroshi Nakanishi, Ellod Gyenge, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Tuning Pt surface reactivity using ligand effects and strain on Pt/Cr and Pt/Ni systems : applications to fuel cell cathode cat alyst design2009

    • Author(s)
      Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Reaction Pathway for Hydronium Ion on Pt(111) surface in Oxygen Reduction2009

    • Author(s)
      Do Ngoc Son, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      Second International Symposium on Atomically Controlled Fabrication Technology
    • Place of Presentation
      Osaka University Nakano shima Centor(大阪市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] DFT Study of Oxygen Vacancy Formation in A Diesel Oxidation Catalyst : Pt/CeO2(111)2009

    • Author(s)
      Tien Quang Nguyen, Mary Clare Sisson Escano, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasail, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
    • Organizer
      AVS 56th International Symposium and Exhibition
    • Place of Presentation
      San Jose, U. S. A
    • Related Report
      2009 Annual Research Report
  • [Presentation] Pd(111)表面及び表面内部領域に入射した水素原子の量子ダイナミクス2009

    • Author(s)
      尾澤伸樹, 中西寛, 笠井秀明
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学(東京)
    • Related Report
      2009 Annual Research Report
  • [Presentation] 金属表面上での水素分子のオルソ・パラ転換ダイナミクス2009

    • Author(s)
      國貞雄治, Wilson Agerico Dino, 中西寛, 笠井秀明
    • Organizer
      第50回真空に関する連合講演会
    • Place of Presentation
      学習院大学(東京)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Computational NanoMaterials Design From Basics to Actual Applications2009

    • Author(s)
      Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Annual Research Report
  • [Presentation] Hydrogen interaction with graphene and platinum : a computational perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      The 11th ISSP International Symposium (ISSP-11) on Hydrogen and Water in Condensed Matter Physics
    • Place of Presentation
      Chiba, Japan
    • Related Report
      2009 Annual Research Report
  • [Presentation] 計算機マテリアルデザイン先端研究事例~脱貴金属ナノ粒子自己形成触媒~2009

    • Author(s)
      岸浩史, 国方伸一, 中西寛, 笠井秀明
    • Organizer
      大阪大学サイバーメディアセンター平成21年度スーパーコンピュータシンポジウム
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Observation of the two-impurity Kondo effect in the STS spectra2009

    • Author(s)
      Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      11th International Conference on Electronic Spectroscopy and Structure(ICESSll)
    • Place of Presentation
      Nara, Japan
    • Related Report
      2009 Annual Research Report
  • [Presentation] Kondo resonance and magnetic properties of two magnetic atoms on a metal surface : QMC simulation2009

    • Author(s)
      Nghiem Thi Minh Hoa, Melanie David, Wilson Agerico Dino, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      11th International Conference on Electronic Spectroscopy and Structure(ICESSll)
    • Place of Presentation
      Nara, Japan
    • Related Report
      2009 Annual Research Report
  • [Presentation] High-uptake graphene hydrogenation : a computational perspective2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      13th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University (Manila, Philippines)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Tuning Pt surface reactivity using ligand effects and strain on Pt/Cr and Pt/Ni systems : applications to fuel cell cathode catalyst design2009

    • Author(s)
      Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      13th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University (Manila, Philippines)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Saturating graphene with chemisorbed hydrogen2009

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
    • Organizer
      20th European Conference on Diamond, Diamond -Like Materials, Carbon Nanotubes, and Nitrides Nanotubes, and Nitrides
    • Place of Presentation
      Athens, Greece
    • Related Report
      2009 Annual Research Report
  • [Presentation] Oh Formation in Oxyen Reduction Reaction on Pt(111) Surface2009

    • Author(s)
      Do Ngoc Son, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Dissociative adsorption of O2 on a single Pt atom coated g-Al2O3(111) and Pt(111) surfaces : A DFT study2009

    • Author(s)
      Masahiro Chikaishi, Rachid Belkada, Shinichi Kunikata, Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Electronic Structure of Lithium Adsorbed on Montmorillonite : A Density Functional Theory (DFT Study)2009

    • Author(s)
      Triati Dewi Kencana Wungu, Susan Menez Aspera, Hermawan Kresno Dipojono, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      5th Handai Nanoscience and Nanotechnology International Symposium
    • Place of Presentation
      大阪大学(吹田市)
    • Related Report
      2009 Annual Research Report
  • [Presentation] Quantum dynamics behaviors of a hydrogen atom near the surfaces of bulk and crystalline Pd2009

    • Author(s)
      Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      The 26th European Conference On Surface Science (ECOSS26)
    • Place of Presentation
      Parma, Italy
    • Related Report
      2009 Annual Research Report
  • [Presentation] STS Observation of the Interference between the Kondo effects and spin correlation effects by the RKKY interaction2009

    • Author(s)
      Emi Minamitani, Yuii Kunisada, Hiroshi Nakanishi, Wilson Agerico Dino, Hideaki Kasai
    • Organizer
      The 26th European Conference On Surface Science (ECOSS26)
    • Place of Presentation
      Parma, Italy
    • Related Report
      2009 Annual Research Report
  • [Presentation] Pt/γ-Al_2O_3表面での酸素分子の吸着過程2008

    • Author(s)
      近石匡裕, Nguyen Tien Quang, 国方伸一, 中西寛, 笠井秀明
    • Organizer
      第49回真空に関する連合講演会
    • Place of Presentation
      くにびきメッセ
    • Year and Date
      2008-10-29
    • Related Report
      2008 Annual Research Report
  • [Presentation] Pd合金表面における水素原子の挙動の第一原理計算2008

    • Author(s)
      尾澤伸樹, 中西寛, 笠井秀明
    • Organizer
      日本金属学会2008年秋季大会
    • Place of Presentation
      熊本大学黒髪キャンパス
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Pd合金表面及び表面内部における水素原子の挙動II2008

    • Author(s)
      尾澤伸樹, Tanglaw Roman, 中西寛, 笠井秀明
    • Organizer
      日本物理学会2008年秋季大会シンポジウム
    • Place of Presentation
      岩手大学上田キャンパス
    • Year and Date
      2008-09-21
    • Related Report
      2008 Annual Research Report
  • [Presentation] NOx浄化触媒表面におけるNO酸化反応過程2008

    • Author(s)
      近石匡裕, Nguyen Tien Quang, 国方伸一, 中西寛, 笠井秀明, 田代欣, 大角和, 前川弘吉
    • Organizer
      日本物理学会2008年秋季大会シンポジウム
    • Place of Presentation
      岩手大学上田キャンパス
    • Year and Date
      2008-09-21
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical study of the hydrogen absorption on the Pdsurface2008

    • Author(s)
      中西寛
    • Organizer
      日本物理学会2008年秋季大会シンポジウム
    • Place of Presentation
      岩手大学上田キャンパス
    • Year and Date
      2008-09-21
    • Related Report
      2008 Annual Research Report
  • [Presentation] 固体高分子型燃料電池カソード触媒上での酸素分子の量子ダイナミクス2008

    • Author(s)
      藤尾孝郎, Tanglaw Roman, Mary Clare Sison Escano, Wilson Agerico Dino, 中西寛, 笠井秀明
    • Organizer
      第69回応用物理学会学術講演会
    • Place of Presentation
      中部大学
    • Year and Date
      2008-09-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 入射エネルギーを考慮したCu(111)及びCuO(100)表面上での原子の脱離反応2008

    • Author(s)
      Tanglaw Roman, Tomoko Ohya, Hirofumi Kishi, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      第69回応用物理学会学術講演会
    • Place of Presentation
      中部大学
    • Year and Date
      2008-09-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Discriminating hydrogen structures on graphite2008

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Wilson Agerico Dino, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tang
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-26
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] The design of an artificial hydrogenase H-subcluster (2Fe3S) on calixarenes by density functional theory2008

    • Author(s)
      Eben Sy Dy, Hideaki Kasai
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-25
    • Related Report
      2009 Final Research Report
  • [Presentation] The design of an artificial hydrogenase H-suboluster (2Fe3S)on calixarenes by density functional theory2008

    • Author(s)
      Eben Sy Dy, Hideaki Kasai
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-25
    • Related Report
      2007 Annual Research Report
  • [Presentation] Pd表面及び内部における水素原子貯蔵状態の第一原理計算による解析2008

    • Author(s)
      尾澤伸樹, Nelson B. Arboleda Jr., 中西寛, 下地伸明, 笠井秀明
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-24
    • Related Report
      2009 Final Research Report
  • [Presentation] Pd表面及び内部における水素原子貯蔵状態の第一原理計算による解2008

    • Author(s)
      尾澤伸樹, Nelson B. Arboleda Jr., 中西寛, 下地伸明, 笠井秀明
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学
    • Year and Date
      2008-03-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] 量子力学的手法によるPd(111)表面における水素原子の反応過程の解析2007

    • Author(s)
      尾澤伸樹, Nelson B. Arboleda Jr., 中西寛, 下地伸明, 笠井秀明
    • Organizer
      水素量子アトミクス第6回研究会
    • Place of Presentation
      北海道大学学術交流会館
    • Year and Date
      2007-12-14
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] 格子緩和効果によるPd(111)表面における水素原子の動的振舞いの変化2007

    • Author(s)
      尾澤伸樹, Nelson B. Arboleda Jr., 中西寛, 笠井秀明
    • Organizer
      真空に関する連合講演会
    • Place of Presentation
      学習院大学
    • Year and Date
      2007-11-14
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] 格子緩和効果を考慮したPd(111)表面及び表面内部における水素原子の量子力学的振る舞い2007

    • Author(s)
      尾澤伸樹, Nelson B. Arboleda Jr., 中西寛, 笠井秀明
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Hydrogen migration on CO-covered Pt(111)2007

    • Author(s)
      Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] First principles studies on the effects of vacancy on H2 dissociative adsorption on the Pt(111) surface2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai, Hiroshi Nakanishi
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-09-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] The Design of an Artificial Hydrogenase H-subcluster (2Fe3S) on Calixarenes by Density Functional Theory2007

    • Author(s)
      Eben Sy Dy, Hideaki Kasai
    • Organizer
      9th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University- Manila, Philippines
    • Year and Date
      2007-08-10
    • Related Report
      2009 Final Research Report
  • [Presentation] The Design of an Artificial Hydrogenase H-subcluster (2Fe3S) on Calixarenes by Density Functional Theory2007

    • Author(s)
      Eben Dy Sy, Hideaki Kasai
    • Organizer
      9th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University-Manila, Philippines
    • Year and Date
      2007-08-10
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical investigations on the interactions of H2 with Pt(111) surface2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai, Hiroshi Nakanishi
    • Organizer
      9th Osaka University-De La Salle University Academic Workshop
    • Place of Presentation
      De La Salle University-Manila, Philippines
    • Year and Date
      2007-08-10
    • Related Report
      2007 Annual Research Report
  • [Presentation] 環境調和と計算機マテリアルデザイン-燃料電池と水素貯蔵2007

    • Author(s)
      笠井秀明
    • Organizer
      第11回基礎工学研究科産学交流会
    • Place of Presentation
      大阪大学基礎工学部
    • Year and Date
      2007-07-05
    • Related Report
      2007 Annual Research Report
  • [Presentation] On Fuel Cell Reactions: Theoretical Investigations on the Hydrogen Interactions with Pt(111)2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai
    • Organizer
      2nd International Workshop on "Materials Science and Nano-Engineering"
    • Place of Presentation
      Awaji Island, Japan
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] On Fuel Cell Reactions: First Principles Investigations on H2-Pt(111) Interactions2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai, Tanglaw Roman, Wilson Agerico Dino, Hiroshi Nakanishi
    • Organizer
      The 10th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Hiroshima University
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] Quantum mechanical behaviors of hydrogen atom on the Pd(111) and Pd0. 75Ag0. 25(111) surfaces and in its subsurfaces2007

    • Author(s)
      Nobuki Ozawa, Nelson B. Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
    • Place of Presentation
      大阪大学銀杏会館
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] Potential energy surfaces for H2 dissociative adsorption on Pt(111) surface: effects of vacancies2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai, Hiroshi Nakanishi
    • Organizer
      International 21st Century COE Symposium for Atomistic Nanofabrication Technology 2007
    • Place of Presentation
      大阪大学銀杏会館
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Investigations on Fuel Cell Reactions: H2-Pt(111) Interactions2007

    • Author(s)
      Nelson Buntimil Arboleda Jr., Hideaki Kasai, Hiroshi Nakanishi
    • Organizer
      Handai Nanoscience and Nanotechnology International Symposium 2007
    • Place of Presentation
      Sigma Hall, Osaka University
    • Related Report
      2007 Annual Research Report
  • [Presentation] 固体高分子形燃料電池の燃料極における原子スケール・ダイナミクスの研究2007

    • Author(s)
      国方伸一, 津田宗幸, Nelson B. Arboleda Jr., Melanie Y. David, 堀口明子, 中西寛, 笠井秀明
    • Organizer
      2007年秋季第68回応用物理学会学術講演会
    • Place of Presentation
      北海道工業大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical study of hydrogen atom behaviors on the Pd(111) surface and in its subsurface via quantum dynamical manners2007

    • Author(s)
      Nobuki Ozawa, Nelson B. Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
    • Organizer
      IVC-17/ICSS-13 and ICN+T 2007 Congress
    • Place of Presentation
      Stockholm, Sweden
    • Related Report
      2007 Annual Research Report
  • [Presentation] First Principles Calculations of the Vacancy Effects on the Dissociative Adsorption of H2 on Pt(111) Surface2007

    • Author(s)
      Nelson Arboleda Jr., Hideaki Kasai, Tanglaw Roman, Hiroshi Nakanishi
    • Organizer
      IVC-17/ICSS-13 and ICN+T 2007 Congress
    • Place of Presentation
      Stockholm, Sweden
    • Related Report
      2007 Annual Research Report
  • [Book] 固体高分子形燃料電池要素材料・水素貯蔵材料の知的設計2008

    • Author(s)
      笠井秀明、津田宗幸
    • Publisher
      大阪大学出版会
    • Related Report
      2009 Final Research Report
  • [Remarks]

    • URL

      http://www.dyn.ap.eng.osaka-u.ac.jp/

    • Related Report
      2007 Annual Research Report

URL: 

Published: 2007-04-01   Modified: 2016-04-21  

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