An organic molecule - Fullerene mixture for a high efficiency photovoltaic device: A theoretical study

Hiroshi Mizuseki, Nobuaki Igarashi, Rodion Vladimirovich Belosludov, Amir A. Farajian, Yoshiyuki Kawazoe

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Many organic molecules such as phthalocyanine, porphyrin and naphthalocyanine possess good electron-donating properties due to their large easily ionized π-electron system, whereas fullerene is a good π-electron acceptor that can be readily connected with other organic molecules. Therefore, a compound consisting of an organic molecule connected to fullerene is a material that could potentially be used to fabricate a photovoltaic cell, due to its large and flexible absorption combined with electrical properties similar to those of an inorganic semiconductor. For this reason, many fullerene-based supramolecules have been proposed as potential organic photovoltaic devices, and their electrochemical and photo-electrochemical properties have been measured under light illumination. We investigated the geometric and electronic structure of an organic molecule - fullerene supramolecule using an ab initio quantum mechanical calculation. The results suggest that the LUMO state of this supramolecule localized on the fullerene and that the HOMO state is localized on the organic half of the molecule.

Original languageEnglish
Title of host publication2003 Nanotechnology Conference and Trade Show - Nanotech 2003
EditorsM. Laudon, B. Romanowicz
Pages72-75
Number of pages4
Publication statusPublished - 2003 Dec 1
Event2003 Nanotechnology Conference and Trade Show - Nanotech 2003 - San Francisco, CA, United States
Duration: 2003 Feb 232003 Feb 27

Publication series

Name2003 Nanotechnology Conference and Trade Show - Nanotech 2003
Volume2

Other

Other2003 Nanotechnology Conference and Trade Show - Nanotech 2003
CountryUnited States
CitySan Francisco, CA
Period03/2/2303/2/27

Keywords

  • Guest-host system
  • Molecular device
  • Organic solar cell
  • Photocurrent generation
  • Phthalocyanine-fullerene supramolecule
  • Simulation

ASJC Scopus subject areas

  • Engineering(all)

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