Towards reakization of single molecule electroncs- Proposal from theory

• Project/Area Number: 21310086
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Microdevices/Nanodevices
• Research Institution: University of Toyama
• Principal Investigator: UEBA Hiromu 富山大学, 大学院・理工学研究部(工学), 教授 (70019214)
• Project Period (FY): 2009 – 2012
• Project Status: Completed (Fiscal Year 2012)
• Budget Amount: ¥18,720,000 (Direct Cost: ¥14,400,000、Indirect Cost: ¥4,320,000); Fiscal Year 2012: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000); Fiscal Year 2011: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000); Fiscal Year 2010: ¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000); Fiscal Year 2009: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
• Keywords: 分子エレクトロニクス / 単一分子 / スイッチング素子 / 負性抵抗 / 走査トンネル顕微鏡 / 振動励起 / 熱伝導 / 単一分子操作 / ナノ構造 / 表面反応 / 分子操作 / 分子スイッチ / 分子デバイス / 熱伝導率 / 非弾性トンネル / グラフェン / 負性微分抵抗 / フラーレン / 表面化学反応

Research Abstract

（1) Elementary processes of H-atom （proton) relay reaction in water-hydroxyl chain was clarified. We found that the shared O-H stretch mode excited by tunneling electrons from a tip of a scanning tunneling microscope plays an indispensable role inducing sequential H-atom relay reaction along the chain.（2) We propose a model to describe two-level fluctuations and current-voltage characteristicsof nanoscale systems that undergo vibrationally induced switching. The parameters of the model are based on comprehensive density functional calculations of the system’s vibrational properties. Thus developed theory has been successfully applied to explain the experimental results associated with a flip motion of hydroxyl dimer on Cu（110). We also explained why the isotopic exchange of H with D leads an appearance of the negative differential resistance of the current-voltage characteristics.（3) We have formulated a general and versatile formula of a vibrationally mediated reaction yield of single molecules on metal surfaces.（4) We propose a model which allows us to calculate a thermal conductivity of graphene on amorphous SiO2.

Research Products

• [Journal Article] Lateral hopping and desorption of a single CO molecule on a Cu(110) surface induced by femtosecond laser pulses (2013)
  • Author(s): H. Ueba and Y. Ootsuka
  • Journal Title: Physical Review B Volume: 87, 205403
• [Journal Article] Lateral hopping and desorption of a single CO molecule on a Cu(110) surface induced by (2013)
  • Author(s): H. Ueba
  • Journal Title: Physical Review B Volume: 87 Issue: 20
  • DOI: 10.1103/physrevb.87.205403
  • Peer Reviewed
• [Journal Article] H-atom relay reactions in real space (2012)
  • Author(s): T. Kumagai, A. Shiotari, H. Okuyama, S. Hatta, T. Aruga, I. Hamada,T. Frederiksen, H. Ueba
  • Journal Title: Nature Materials Volume: 11, 167
• [Journal Article] Modifying current-voltage characteristics of a single molecule junction by isotope substitution: OHOD dimer on Cu(110) (2012)
  • Author(s): H. Okuyama, A. Shiotari, T. Kumagai, S. Hatta, T. Aruga, Y. Ootsuka, M. Paulsson, H. Ueba
  • Journal Title: Physical Review B Volume: 85, 205424
• [Journal Article] Analysis of lateral hopping of a single CO molecule on Pd(110) (2012)
  • Author(s): H. Ueba
  • Journal Title: Physical Review B Volume: 86, 035440
• [Journal Article] H-atom relay reaction in real space (2012)
  • Author(s): T.Kumagai, et al., H.Ueba
  • Journal Title: Nature Materials Volume: 11 Issue: 2 Pages: 167-172
  • DOI: 10.1038/nmat3176
  • Peer Reviewed
• [Journal Article] Modifying current-voltage characteristic of a single molecule junction by isotope substitution : OHOD dimer on Cu(110) (2012)
  • Author(s): H. Okuyama, A. Shiotari, T. Kumagai, S. Hatta, T. Aruga, Y. Ootsuka, M. Paulsson, H. Ueba
  • Journal Title: Physical Review B Volume: 85 Issue: 20 Pages: 204524-204524
  • DOI: 10.1103/physrevb.85.205424
  • Peer Reviewed
• [Journal Article] Phononic heat transfer across an interface: thermal boundary resistance (2011)
  • Author(s): B.N. J. Persson, A. I. Volokitin, H. Ueba
  • Journal Title: Journal of Physics: Condensed Matter Volume: 23, 045009
• [Journal Article] Vibrationally induced flip motion of a hydroxyl dimer on Cu(110) (2011)
  • Author(s): Y. Ootsuka, T. Frederiksen, H. Ueba, M.Paulsson
  • Journal Title: Physical Review B Volume: 84, 193403
• [Journal Article] Vibrationally induced flip motion of a hydroxyl dimer on Cu(110) (2011)
  • Author(s): Y.Ootsuka, T, Frederiksen, H.Ueba, M.Pauksson
  • Journal Title: Physical Review B Volume: 84 Issue: 19
  • DOI: 10.1103/physrevb.84.193403
  • Peer Reviewed
• [Journal Article] Phononic heat transfer across an interface : Thermal boundary resistance (2011)
  • Author(s): B.N.J.Persson, A.I.Volokitin, H.Ueba
  • Journal Title: Journal of Physics : Condensed Matters Volume: 23 Issue: 4 Pages: 045009-045009
  • DOI: 10.1088/0953-8984/23/4/045009
  • Peer Reviewed
• [Journal Article] Inelastic tunneling spectroscopy of alkanetiol molecules: High-resolution spectroscopy and theoretical simulations (2010)
  • Author(s): N. Okabayashi, M. Paulsson, H. Ueba, Y.Konda, T. Komeda
  • Journal Title: Physical. Review. Letters Volume: 104,077801
• [Journal Article] Comment 'Diffusion and dimer formation of CO molecules induced by femtosecond laser pulses' (2010)
  • Author(s): H. Ueba, B.N.J. Persson
  • Journal Title: Physical. Review. Letters Volume: 104,239601
• [Journal Article] Site selective inelastic electron tunneling spectroscopy probed by isotope labeling (2010)
  • Author(s): N. Okabayashi, M. Paulsson, H. Ueba, Y. Konda, and T. Komeda
  • Journal Title: Nano Letters Volume: 10,2950
  • NAID: 130005038212
• [Journal Article] Insight into action spectroscopy for single molecule motion and reactions through inelastic electron tunneling (2010)
  • Author(s): K. Motobayashi, Y. Kim, H. Ueba, and M.Kawai
  • Journal Title: Phys. Rev .Lett. Volume: 105,076101
• [Journal Article] Lateral hopping of CO on Cu(111) induced by femtosecond laser pulses (2010)
  • Author(s): H. Ueba, Y. Ootsuka, M. Paulsson, B.N.J. Persson
  • Journal Title: Physical Review B Volume: 82,121411(R)
• [Journal Article] Heat transfer between weakly coupled systems: Graphene on a-SiO2 (2010)
  • Author(s): B.N.J. Persson and H. Ueba
  • Journal Title: Europhysics Letters Volume: 91, 56001
• [Journal Article] Heat transfer between graphene and amorphous SiO2 (2010)
  • Author(s): B.N.J. Persson, H. Ueba
  • Journal Title: Journal of Physics: Condensed Matter Volume: 22,462201
• [Journal Article] Insight into Action Spectroscopy for single Molecule Motions and Reactions through Inelastic Electron Tunneling (2010)
  • Author(s): Motobayashi, Kim, Kawai, Ueba
  • Journal Title: Physical Review Letters Volume: 105
  • Peer Reviewed
• [Journal Article] Heat transfer between weekly coupled systems : Graphene on a-SiO2 (2010)
  • Author(s): B.Persson, Ueba
  • Journal Title: European Physics Letters Volume: 91
  • Peer Reviewed
• [Journal Article] Inelastic Tunneling Spectroscopy of Alkanethiol Molecules-High Resolution Spectroscopy and Theoretical Simulation (2010)
  • Author(s): Okabayashi, Paulsson, Ueba, Komeda
  • Journal Title: Physical Review Letters Volume: 104
  • Peer Reviewed
• [Journal Article] Lateral hopping of CO on Cu(111) induced by femtosecond laser pulsed (2010)
  • Author(s): H.Ueba, Y.Ootsuka, M.Paulsson, B.N.J.Persspn
  • Journal Title: Physical Review B Volume: 82
  • Peer Reviewed
• [Journal Article] Site selective inelastic electron tunneling spectroscopy probed by isotope labeling (2010)
  • Author(s): N.Okabayashi, M.Paulsson, H.Ueba, Y.Konda, T.Komeda
  • Journal Title: Nano Letters Volume: 10 Pages: 2950-2955
  • NAID: 130005038212
  • Peer Reviewed
• [Journal Article] Comment on "Diffusion and dimer formation of CO molecules induced By Femtosecond laser pulses (2010)
  • Author(s): H.Ueba, B.N.J.Persson
  • Journal Title: Physical Review Letters Volume: 104 Pages: 239601-239601
  • Peer Reviewed
• [Journal Article] Inelastic Tunneling Spectroscopy of Alkanethiol Molecules : High-Resolution Spectroscopy and Theoretical Simulations (2010)
  • Author(s): N.Okabayashi, M.Paulsson, H.Ueba, Y.Konda, T.Komeda
  • Journal Title: PHYSICAL REVIEW LETTERS 104 Pages: 77801-77801
  • Peer Reviewed
• [Journal Article] How Vibrationally Assisted Tunneling with STM Affects the Motions and Reactions of Single Adsorbates (2009)
  • Author(s): S. G. Tikhodeev and H. Ueba
  • Journal Title: PhysicalReview Letters Volume: 102,246101
• [Journal Article] Lateral hopping of CO molecules on Pt(111) surface by femtosecond laser pulses (2009)
  • Author(s): M. Hayashi, T. Ootsuka, M. Paulsson, B.N.J. Persson, and H. Ueba
  • Journal Title: Physical Review B Volume: 80,245409
• [Journal Article] How Vibrationally Assisted Tunneling with STM Affects the Motions and Reactions of Single Adsorbates (2009)
  • Author(s): S.G.Tikhodeev, H.Ueba
  • Journal Title: PHYSICAL REVIEW LETTERS 102 Pages: 246101-246101
  • Peer Reviewed
• [Presentation] Controlled Atomic Dynamics onSolid Surfaces: Atom and Molecular Manipulation(Invited talk) (2013)
  • Organizer: "Single molecule reactions in real space and in real time"in International Workshop on
  • Place of Presentation: San Sebastian, Spain
  • Year and Date: 2013-05-16
• [Presentation] Single molecule reactions in real space and in real time (2013)
  • Author(s): H. Ueba
  • Organizer: International Workshop on “Controlled Atomic Dynamics on Solid Surfaces: Atom and Molecular Manipulation”
  • Place of Presentation: サン・セバスチャン（スペイン）
  • Invited
• [Presentation] Vibrationally assisted tunneling in motions and reactions of single molecules (2010)
  • Author(s): H.Ueba
  • Organizer: CECOM International workshop on Transport in Molecular Nanostructures
  • Place of Presentation: チューリッヒ(スイス)
  • Year and Date: 2010-06-23
• [Book] Current-driven phenomena in nanoelectronics (2012)
  • Author(s): T. Seidemann
  • Publisher: Pan Stanford Publishing Ltd
• [Book] Current-driven phenomena in nanoelectronics (2012)
  • Author(s): H. Ueba
  • Publisher: Pan Stanford Publishing Ltd
• [Book] Dynamics at Solid State Surface and Interfaces Vol. 1: Current Developments (2011)
  • Author(s): J. Guedde, M. Bonn, H. Ueba, and U.Hoefer
  • Publisher: WILEY-VCH Verlag Gmb H & Co. Weinheim
• [Book] Current-Driven Phenomena in Nanoelectronics(分担:Chapter 2) (2011)
  • Author(s): H.Ueba, S.G.Tikhodeev, B.N.J.Persson
  • Publisher: Pan Stanford Publishing Pte.Ltd.
• [Remarks]
  • URL: http://www3.u-toyama.ac.jp/ueba/
• [Remarks]
  • URL: http://www3.u-toyama.ac.jp/ueba/