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2006 Fiscal Year Final Research Report Summary

Basic research for the development of coupled reactivity of electrons and ions by nano-space design of oxide hetero-composites

Research Project

Project/Area Number 16206074
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Metal making engineering
Research InstitutionThe University of Tokyo

Principal Investigator

YAMAGUCHI Shu  The University of Tokyo, Graduate School of Engineering, Professor (10182437)

Co-Investigator(Kenkyū-buntansha) HIGUCHI Touru  Tokyo University of Science, Faculty of Science, Research Associate (80328559)
OYAMA Yukiko  The University of Tokyo, Graduate School of Engineering, Research Associate (00345373)
SHIMOJO Fuyuki  Kumamoto University, Faculty of Science, Associate Professor (60253027)
Project Period (FY) 2004 – 2006
KeywordsNanoionics / Solid state ionics / Space charge layer / Schottky barrier / Soft X-ray spectroscopy / Molecular dynamics / Electrode reaction / Mixed potential
Research Abstract

The objectives of the present study is to pursue an experimental approach to understand and discuss the correlation between electronic structure, electrochemical and ionic transport properties of heterogeneous interface composed of either ionic or mixed ionic-and-electronic oxide materials fabricated based on various nano-scaled designs, in order to establish the directions of nano-space design to realize novel functionality of heterogeneous interface. With small alteration of the initial experimental plan, various oxides and sulfide systems have been extensively examined for its electrochemical properties in correlation of electronic band structure. The achievement throughout whole term is summarized as follows:
1. Using various electron spectroscopy measurements, the band bending behavior has been examined and concluded that the band cramp behavior is determined by the nature and density of state (DOS) of the corresponding level. In case of oxide with d-and f-electrons, the charge transfer reaction from O2p to Mmd/nf govern the surface level and possibly the interfacial one. d
2. A novel concept of Nonstoichiometry-Induced Carrier Modification has been proposed for the asymmetric cell with blocking and reversible electrode. The change in the conductivity in the vicinity of blocking electrode region is experimentally observed and is attributed for the anti-Schottky type rectification in dc I-V properties. The concept is extended to oxide systems with the experimental confirmations and is concluded to be applicable to compounds with a certain level of ionic transference number.
3. A dynamic structural and electronic relaxation of interface and resultant modification of surface reactivity of hydrogen and water at the tri-phase region of metal oxide, proton conductor, and gas phase are simulated using ab-initio molecular dynamics technique.

  • Research Products

    (36 results)

All 2007 2006 2005 2004

All Journal Article (36 results)

  • [Journal Article] Proton incorporation and defect chemistry of Yb-doped BaPrO_32007

    • Author(s)
      S. Mimuro, S. Shibako, Y. Oyama, K. Kobayashi, et. al.
    • Journal Title

      Solid State Ionics 178 ・ 7-10

      Pages: 641-647

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Effect of TiO_2 Anatase Layer for Bi_4Ti_3O_<12> Thin Film Prepared on La_<0.05>Sr_<0.95>TiO_3 Substrate2007

    • Author(s)
      M. Konishi, T. Higuchi, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 32

      Pages: 23-26

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Optical and Structural Properties of La_2Ti_2O_7 Thin Films Prepared on SrTiO_3 Substrates2007

    • Author(s)
      M. Wakui, T. Higuchi, M. Satake, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 32

      Pages: 83-86

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Ab initio study of proton dynamics on perovskite oxide surfaces2007

    • Author(s)
      F. Shimojo
    • Journal Title

      Science and Technology of Advanced Materials 8・6

      Pages: 504-510

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Proton incorporation and defect chemistry of Yb-doped BaPrO_32007

    • Author(s)
      S. Mimuro, S. Shibako, Y. Oyama, K. Kobayashi, T. Higuchi, S. Shin, S. Yamaguchi
    • Journal Title

      Solid State Ionics 178(7-10)

      Pages: 641-647

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Effect of TiO_2 Anatase Layer for Bi_4Ti_3O_<12> Thin Films Prepared on La_<0.05>Sr_<0.95>TiO_3 Substrate2007

    • Author(s)
      M. Konishi, T. Higuchi, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 32

      Pages: 23-26

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Optical and Structural Properties La_2Ti_2O_7 Thir Films Prepared on Sr TiO_3 Substrates2007

    • Author(s)
      M. Wakui, T. Higuchi, M. Satake, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 32

      Pages: 83-86

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Ab initio study of proton dynamics on perovskite oxide surfaces2007

    • Author(s)
      F. Shimojo
    • Journal Title

      Science and Technology Advanced Materials 8(6)

      Pages: 504-510

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electrochemical analysis and SPM investigations of Solid Electrochemical Reaction in atomic switch using Cu_2S ion/holebnixed conductor2006

    • Author(s)
      T. Tsuchiya, Y. Oyama, K. Terabe, S. Yamaguchi
    • Journal Title

      proceedings of the 16th Iketani Conference, Masuko Symposium

      Pages: 889-894

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Defect chemistry of proton-hole mixed conducting oxides Yb-doped BaPrO_32006

    • Author(s)
      S. Mimuro, S. Shibako, K. Kobayashi, Y. Oyama, et. al.
    • Journal Title

      Proceedings of the 16th Iketani Conference, Masuko Symposium

      Pages: 895-900

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electrochemical analysis and SPM investigations of Solid Electrochemical Reaction in atomic switch using CU_2S ion/hole mixed conductor2006

    • Author(s)
      T. Tsuchiya, Y. Oyama, K. Terabe, S. Yamaguchi
    • Journal Title

      Proceedings of the 16th Iketani Conference, Masuko Symposium

      Pages: 889-894

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Defect chemistry of proton-hole mixed conducting oxides Yb-doped BaPrO_32006

    • Author(s)
      S. Mimuro, S. Shibako, K. Kobayashi, Y. Oyama, S. Yamaguchi
    • Journal Title

      Proceedings of the 16th Iketani Conference, Masuko Symposium

      Pages: 895-900

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Growth of Bi_4Ti_<3-X>Zr_XO_<12> Single Crystal by Floating Zone Method2005

    • Author(s)
      T. Higuchi, Y. Moriuchi, M. Satake, T. Hattori, et. al.
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 30・1

      Pages: 15-18

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Ferroelectricity and Electronic Stete of (Sr, Ba) Nb_2O_6 Thin Film Prepared on La-doped SrTiO_3 Substrate2005

    • Author(s)
      T. Higuchi, Y. Ebina, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn 30・1

      Pages: 27-30

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electronic Structure of Protonic Conductor SrCeO_3-SrZrO_3 Mixed Thin Film2005

    • Author(s)
      T. Higuchi, T. Tsukamoto, N. Sata, S. Yamaguchi, et. al.
    • Journal Title

      Solid State Ionics 176

      Pages: 2963-2966

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electronic Structure of Proton Conducting BaCe_<0.90>Y_<0.10>O_<3-o>2005

    • Author(s)
      T. Higuchi, T. Tsukamoto, H. Matsumoto, T. Shimura, et. al.
    • Journal Title

      Solid State Ionics 176

      Pages: 2967-2970

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electronic Structure of Protonic Condutor SrTi_<0.98>Sc_<0.02>O_3 Probed by Soft-X-ray Spectroscopy2005

    • Author(s)
      T. Higuchi, S. Yamaguchi, S. Shin, T. Hattori, et. al.
    • Journal Title

      Jpn. J. Appl. Phys. 44・1A

      Pages: 285-286

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Microscopic mechanism of proton conduction in perovskite oxides2005

    • Author(s)
      F. Shimojo
    • Journal Title

      Materials Integration 18(7)

      Pages: 37-41

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Growth of Bi_4Ti_<3-x>Zr_xO_<12> Single Crystal by Floating Zone Method2005

    • Author(s)
      T. Higuchi, Y. Moriuchi, M. Satake, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 30(1)

      Pages: 15-18

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Ferroelectricity and Electronic Stete of (Sr, Ba)Nb_2O_6 Thin Film Prepared on La-doped SrTiO_3 Substrate2005

    • Author(s)
      T. Higuchi, Y. Ebina, T. Hattori, T. Tsukamoto
    • Journal Title

      Trans. Mater. Res. Soc. Jpn. 30(1)

      Pages: 27-30

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electronic Structure of Protonic Conductor SrCeO_3-SrZrO_3 Mixed Thin Film2005

    • Author(s)
      T. Higuchi, T. Tsukamoto, N. Sata, S. Yamaguchi, S. Shin, T. Hattori
    • Journal Title

      Solid State Ionics 176

      Pages: 2963-2966

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electronic Structure of Proton Conducting BaCe_<0.90>Y_<0.10>O<3-σ>2005

    • Author(s)
      T. Higuchi, T. Tsukamoto, H. Matsumoto, T. Shimura, K. Yashiro, T. Kawada, J. Mizusaki, S. Shin, T. Hattori
    • Journal Title

      Solid State Ionics 176

      Pages: 2967-2970

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electronic Structure of Protonic Condutor SrTi_<0.98>Sc_<0.02>O_3 Probed by Soft-X-ray Spectroscopy2005

    • Author(s)
      T. Higuchi, S. Yamaguchi, S. Shin, T. Hattori, T. Tsukamoto
    • Journal Title

      Jpn. J. Appl. Phys. 44(1A)

      Pages: 285-286

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Mixed Protonic-Electronic Conduction in Transition-Metal-Doped Perovskite-Type Oxides2004

    • Author(s)
      H. Matsumoto, T. Shimura, T. Higuchi, T. Otake, Y. Sasaki
    • Journal Title

      Electrochemistry 72・12

      Pages: 861-864

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Thermoelectric Properties, Defect Structure, and Electronic Structure of Ln_<0.9>Sr_<0.1>Fe_<03-o>(Ln=La and Nd)2004

    • Author(s)
      K. Kobayashi, S. Yamaguchi, T. Higuchi, S. Shin, et. al.
    • Journal Title

      Electrochemistry 72・12

      Pages: 870-875

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electronic Structure of Protonic Conductor BaCe_<0.90>Y_<0.10>O_<3-o> Probed by Soft-X-Ray Spectroscopy2004

    • Author(s)
      T. Higuchi, H. Matsumoto, T. Shimura, K. Yashiro, et. al.
    • Journal Title

      Jpn. J. Appl. Phys. 43・6A

      Pages: L731-734

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Electronic Structure in the Band-Gap Region of Protonic Conductor SrZr_<0.90>Y_<0.10>O_<3-o>2004

    • Author(s)
      T. Higuchi, H. Matsumoto, T. Shimura, K. Yashiro, et. al.
    • Journal Title

      Jpn. J. Appl. Phys. 43・8A

      Pages: 5419-5420

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Atomistic mechanisms for wurtzite-to rocksalt structural transformation in cadmium selenide under pressure2004

    • Author(s)
      F. Shimojo, S. Kodiyalam, I. Ebbsjo, R. K. Kalia, et. al.
    • Journal Title

      physical Review B 70

      Pages: 184111-1-184111-6

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Environmental Effects of H_2O on Fracture Initiation in Silicon : A Hybrid Electronic-Density-Functional/Molecular-Dynamics Study2004

    • Author(s)
      S. Ogata, F. Shimojo, R. K. Kalia, A. Nakano, et. al.
    • Journal Title

      J. Appl. Phys. 95

      Pages: 5316-5323

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] 計算機シミュレーションで見るペロプスガイド型酸化物中のプロトン伝導メカニズム2004

    • Author(s)
      下條冬樹
    • Journal Title

      マテリアルインテグレーション 18・7

      Pages: 37-41

    • Description
      「研究成果報告書概要(和文)」より
  • [Journal Article] Mixed Protonic-Electronic Conduction in TransitionMetal-Doped Perovskite-Type Oxides2004

    • Author(s)
      H. Matsumoto, T. Shimura, T. Higuchi, T. Otake, Y. Sasaki, et. al.
    • Journal Title

      Electrochemistry 72(12)

      Pages: 861-864

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Thermoelectric Properties, Defect Structure, and Electronic Structure of Ln_<0.9>Sr_<0.1>FeO_<3-σ> (Ln=La and Nd)2004

    • Author(s)
      K. Kobayashi, S. Yamaguchi, T. Higuchi, S. Shin, et. al.
    • Journal Title

      Electrochemistry 72(12)

      Pages: 870-875

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electronic Structure of Protonic Conductor BaCe_<0.90>Y<0.10>O_<3-σ> Probed by Soft-X-Ray Spectroscopy2004

    • Author(s)
      T. Higuchi, H. Matsumoto, T. Shimura, K. Yashiro, T. Kawada, J. Mizusaki, S. Shin, T. Tsukamoto
    • Journal Title

      Jpn. J. Appl. Phys. 43(6A)

      Pages: L731-734

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Electronic Structure in the Band-Gap Region of Protonic Conductor SrZr_<0.90>Y_<0.10>O_<3-σ>2004

    • Author(s)
      T. Higuchi, H. Matsumoto, T. Shimura, K. Yashiro, T. Kawada, J. Mizusaki, S. Shin, T. Tsukamoto
    • Journal Title

      Jpn. J. Appl. Phys. 43(8A)

      Pages: 5419-5420

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Atomistic mechanisms for wurtzite-to rocksalt structural transformation in cadmium selenide under pressure2004

    • Author(s)
      F. Shimojo, S. Kodiyalam, I. Ebbsjo, R. K. Kalia, A. Nakano, P. Vashishta
    • Journal Title

      Physical Review B 70

      Pages: 184111-1-184111-6

    • Description
      「研究成果報告書概要(欧文)」より
  • [Journal Article] Environmental Effects of H_2O on Fracture Initiation in Silicon : A Hybrid Electronic-Density-Functional/Molecular-Dynamics Study2004

    • Author(s)
      S. Ogata, F. Shimojo, R. K. Kalia, A. Nakano, P. Vashishta
    • Journal Title

      J. Appl. Phys. 95

      Pages: 5316-5323

    • Description
      「研究成果報告書概要(欧文)」より

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Published: 2010-06-09  

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