TY - GEN
T1 - An organic molecule - Fullerene mixture for a high efficiency photovoltaic device
T2 - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
AU - Mizuseki, Hiroshi
AU - Igarashi, Nobuaki
AU - Belosludov, Rodion V.
AU - Farajian, Amir A.
AU - Kawazoe, Yoshiyuki
PY - 2003
Y1 - 2003
N2 - 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.
AB - 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.
KW - Guest-host system
KW - Molecular device
KW - Organic solar cell
KW - Photocurrent generation
KW - Phthalocyanine-fullerene supramolecule
KW - Simulation
UR - http://www.scopus.com/inward/record.url?scp=6344235171&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=6344235171&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:6344235171
SN - 0972842209
T3 - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
SP - 72
EP - 75
BT - 2003 Nanotechnology Conference and Trade Show - Nanotech 2003
A2 - Laudon, M.
A2 - Romanowicz, B.
Y2 - 23 February 2003 through 27 February 2003
ER -
