Local Electronic Excitation Mechanism for Nanofabrication of Polydiacetylene Molecular Wire(Cross-disciplinary Physics and Related Areas of Science and Technology)

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概要

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• Mechanism of electron-excitation-induced polymerization from diacetylene monomer to polydiactylene was studied theoretically. The single electron configuration interaction (SE-CI) method based on abinitio Hartree-Fock crystal orbital theory was used for the calculation. Potential energy curves of electronically excited singlet and triplet states along a hypothetical reaction coordinate were calculated. The lowest triplet state of miss-aligned diacetylene monomer was found to be metastable, which agrees with experiments. The local electronic excitation mechanism found in this polymerization reaction was discussed in the context of the polymerization initiated by scanning tunneling microscope (STM).

• 社団法人日本物理学会の論文
• 2003-12-15

著者

• YAMASHITA Koichi

  Department of Anesthesiology and Critical Care Medicine, Kochi Medical School

• 山下 晃一

  Department Of Chemical System Engineering The University Of Tokyo

• Asai Yoshihiro

  Departments of Radiology, Surgery and Pediatrics, Nagoya University Medical Center

• HIRATA So

  William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory

• Asai Y

  Department Of Chemical System Engineering The University Of Tokyo:research Institute For Computation

• Asai Yoshihiro

  Departments Of Radiology Surgery And Pediatrics Nagoya University Medical Center

• Hirata S

  William R. Wiley Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory

• Yamashita Koichi

  Department Of Anesthesiology And Critical Care Medicine Kochi Medical School

• Asai Yoshihiro

  Department of Chemical System Engineering, The University of Tokyo:Research Institute for Computational Sciences (RICS), National Institute of Advanced Industrial Science and Technology (AIST)

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