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Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex

Sun, Mengtao LU ; Li, Yuanzuo and Ma, Fenfcai (2005) In Chemical Physics Letters 412(4-6). p.425-429
Abstract
Dye-sensitized solar cells using a chlorophyll a derivative (PPB a der.) as the sensitizer and carotenoids having different conjugation lengths as redox spacers was studied experimentally. In this Letter, the excited state properties of the neurosporene & PPB a der. complex are investigated theoretically with quantum chemistry method. The 2D real space analysis with the transition density matrix reveals that some excited states are locally excited states, and some is the intermolecular charge transfer (ICT) state. The 3D real space analysis reveals: (1) that the orientation and the strength of the dipole moment from transition density, and (2) the orientation and result of ICT in Neurosporene & PPB a der. complex from charge... (More)
Dye-sensitized solar cells using a chlorophyll a derivative (PPB a der.) as the sensitizer and carotenoids having different conjugation lengths as redox spacers was studied experimentally. In this Letter, the excited state properties of the neurosporene & PPB a der. complex are investigated theoretically with quantum chemistry method. The 2D real space analysis with the transition density matrix reveals that some excited states are locally excited states, and some is the intermolecular charge transfer (ICT) state. The 3D real space analysis reveals: (1) that the orientation and the strength of the dipole moment from transition density, and (2) the orientation and result of ICT in Neurosporene & PPB a der. complex from charge difference density. (c) 2005 Elsevier B.V. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Chemical Physics Letters
volume
412
issue
4-6
pages
425 - 429
publisher
Elsevier
external identifiers
  • wos:000231660800036
  • scopus:23944515705
ISSN
0009-2614
DOI
10.1016/j.cplett.2005.07.043
language
English
LU publication?
yes
id
7568f5d7-a571-4986-b78f-62d66a9ad98d (old id 151851)
date added to LUP
2007-07-04 08:34:36
date last changed
2017-10-01 04:45:04
@article{7568f5d7-a571-4986-b78f-62d66a9ad98d,
  abstract     = {Dye-sensitized solar cells using a chlorophyll a derivative (PPB a der.) as the sensitizer and carotenoids having different conjugation lengths as redox spacers was studied experimentally. In this Letter, the excited state properties of the neurosporene & PPB a der. complex are investigated theoretically with quantum chemistry method. The 2D real space analysis with the transition density matrix reveals that some excited states are locally excited states, and some is the intermolecular charge transfer (ICT) state. The 3D real space analysis reveals: (1) that the orientation and the strength of the dipole moment from transition density, and (2) the orientation and result of ICT in Neurosporene & PPB a der. complex from charge difference density. (c) 2005 Elsevier B.V. All rights reserved.},
  author       = {Sun, Mengtao and Li, Yuanzuo and Ma, Fenfcai},
  issn         = {0009-2614},
  language     = {eng},
  number       = {4-6},
  pages        = {425--429},
  publisher    = {Elsevier},
  series       = {Chemical Physics Letters},
  title        = {Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex},
  url          = {http://dx.doi.org/10.1016/j.cplett.2005.07.043},
  volume       = {412},
  year         = {2005},
}