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First-principles approach to study on electronic and atomic dynamics and excited states of nanostructures

First-principles approach to study on electronic and atomic dynamics and excited states of nanostructures
研究电子和原子动力学以及纳米结构激发态的第一性原理方法
批准号:
19540411
负责人:
WATANABE Kazuyuki
金额:
$2.0万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research (C)
财政年份:
2007
资助国家:
日本
项目状态:
已结题
起止时间:
2007 至 2010

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中文摘要
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英文摘要
We clarified the responses of electronic states and the effects on atoms of nano-scale structures under high laser fields or AC fields using advanced techniques based on first-principles electronic structure calculations. The conditions of applied laser parameters for molecular dissociation and surface desorption are determined. Mechanism of photo-induced electric current and Auger recombination processes of excitons in carbon nanotubes (CNTs) are elucidated. Response of CNTs to AC applied voltage is understood by modelling CNTs as an equivalent electric circuit. Finally, electric-current induced forces on atoms of nanostructures are obtained by the nonequilibrium electronic structure calculation methods.
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会议论文
Isotope Effect on Hydrogen Desorption from Graphene Flake by Ab Initio Electron-Ion Dynamics Simulation
从头算电子-离子动力学模拟同位素对石墨烯片氢解吸的影响
DOI: --
发表时间: 2011
期刊: e-J.Surf.Sci.Nanotech. 9
影响因子: --
作者: [J.Haruyama, K.Watanabe]
通讯作者: K.Watanabe
Quantum-Chemical Interpretation of Current-Induced Forces on Adatoms in Carbon Nanotubes
碳纳米管吸附原子上电流感应力的量子化学解释
DOI: --
发表时间: 2007
期刊: J. Phys. Chem. C 111
影响因子: --
作者: [M. Araidai, K. Watanabe, M. Araidai, Y. Girard]
通讯作者: Y. Girard
DOI: --
发表时间: 2010
期刊:
影响因子: --
作者: [M. Araidai, K. Watanabe, M. Araidai, Y. Girard, T. Yamamoto, 胡春平, 春山潤, 渡辺一之, C.Hu, K.Watanabe, 春山潤, 石見洋平]
通讯作者: 石見洋平
Auger-Recombination Induced Photocurrents in CNTs
碳纳米管中的俄歇复合诱导光电流
DOI: --
发表时间: 2009
期刊:
影响因子: --
作者: [S.Konabe, 小鍋哲, 小野田信人, 小鍋哲, 春山潤, 相馬聡文, 山本貴博, 小鍋哲, 小鍋哲, K.Watanabe, K.Watanabe, 小鍋哲, D.Hirai, 相馬聡文, 小鍋哲]
通讯作者: 小鍋哲
98
    A Study on the inclusive process of interior resistance movements by Free France
    Continuity of trading of agro pastoral forest products in Himalaya region
    A Study on Free France in the Second World War from a viewpoint of restoring Sovereignty
    • 批准号:
      26370858
    • 项目类别:
      Grant-in-Aid for Scientific Research (C)
    • 资助金额:
      $2.33万
    • 财政年份:
      2014
    • 负责人:
      WATANABE Kazuyuki
    • 依托单位:
    Leisure Policies of the French Popular Front
    • 批准号:
      23520899
    • 项目类别:
      Grant-in-Aid for Scientific Research (C)
    • 资助金额:
      $2.58万
    • 财政年份:
      2011
    • 负责人:
      WATANABE Kazuyuki
    • 依托单位:
    海外基金