Simulation study on geometric and electronic structure of photovoltaic molecules

H. Mizuseki, N. Igarashi, C. Majumder, R. V. Belosludov, A. A. Farajian, J. T. Wang, H. Chen, Y. Kawazoe

研究成果: Conference article査読

3 被引用数 (Scopus)

抄録

The geometric and electronic structure of porphyrin-fullerene based supramolecular system was investigated using first principle calculations. It was suggest by the results that the lowest unoccupied molecular orbital (LUMO) state of the supramolecule was localized on the fullerene. The highest occupied molecular orbital (HOMO) state was found to be localized on the porphyrin moiety.

本文言語English
ページ(範囲)199-203
ページ数5
ジャーナルMaterials Research Society Symposium - Proceedings
725
DOI
出版ステータスPublished - 2002
イベントOrganic and Polymeric materials and Devices - Optical, Electrical and Optoelectronic Properties - San Francisco, CA, United States
継続期間: 2002 4 12002 4 5

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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