Photoswitching of conductance through salicylidene methylamine

研究成果: ジャーナルへの寄稿記事

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抄録

Photoswitching of conductance through both stable isomers of salicylidene methylamine was investigated using nonequilibrium Green's function method combined with density functional theory. This study demonstrates how the optically induced intramolecular proton transfer between the hydroxyl group and the amino group of salicylidene methylamine can lead to molecular size photodiode with on/off current ratio of 1 order of magnitude. It was further elucidated that the optical switching alone is not sufficient to realize the molecular switch. Of primary importance was found to be the anchoring between the molecule and the metal electrodes. When the anchoring groups were connected to the benzene ring in para-orientation, minimal on/off current ratio was estimated. When the anchoring groups were connected to the benzene ring in meta-orientation, 1 order of magnitude on/o ff current ratio was calculated. Molecular orbital analysis was successfully employed to elucidate the difference in the photoswitching properties of the meta- and para-anchored isomers of salicylidene methylamine. This study demonstrates the potential application of aromatic Schiff bases as photodiodes in the field of molecular electronics. (Figure Presented).

元の言語英語
ページ(範囲)27539-27548
ページ数10
ジャーナルJournal of Physical Chemistry C
118
発行部数47
DOI
出版物ステータス出版済み - 1 1 2014

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Photodiodes
Isomers
Benzene
Molecular electronics
Proton transfer
Molecular orbitals
Green's function
photodiodes
Density functional theory
isomers
Schiff Bases
benzene
Switches
Hydroxyl Radical
Electrodes
Molecules
molecular electronics
rings
optical switching
Metals

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry

これを引用

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title = "Photoswitching of conductance through salicylidene methylamine",
abstract = "Photoswitching of conductance through both stable isomers of salicylidene methylamine was investigated using nonequilibrium Green's function method combined with density functional theory. This study demonstrates how the optically induced intramolecular proton transfer between the hydroxyl group and the amino group of salicylidene methylamine can lead to molecular size photodiode with on/off current ratio of 1 order of magnitude. It was further elucidated that the optical switching alone is not sufficient to realize the molecular switch. Of primary importance was found to be the anchoring between the molecule and the metal electrodes. When the anchoring groups were connected to the benzene ring in para-orientation, minimal on/off current ratio was estimated. When the anchoring groups were connected to the benzene ring in meta-orientation, 1 order of magnitude on/o ff current ratio was calculated. Molecular orbital analysis was successfully employed to elucidate the difference in the photoswitching properties of the meta- and para-anchored isomers of salicylidene methylamine. This study demonstrates the potential application of aromatic Schiff bases as photodiodes in the field of molecular electronics. (Figure Presented).",
author = "Staykov, {Aleksandar Tsekov} and Motonori Watanabe and Tatsumi Ishihara and Kazunari Yoshizawa",
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T1 - Photoswitching of conductance through salicylidene methylamine

AU - Staykov, Aleksandar Tsekov

AU - Watanabe, Motonori

AU - Ishihara, Tatsumi

AU - Yoshizawa, Kazunari

PY - 2014/1/1

Y1 - 2014/1/1

N2 - Photoswitching of conductance through both stable isomers of salicylidene methylamine was investigated using nonequilibrium Green's function method combined with density functional theory. This study demonstrates how the optically induced intramolecular proton transfer between the hydroxyl group and the amino group of salicylidene methylamine can lead to molecular size photodiode with on/off current ratio of 1 order of magnitude. It was further elucidated that the optical switching alone is not sufficient to realize the molecular switch. Of primary importance was found to be the anchoring between the molecule and the metal electrodes. When the anchoring groups were connected to the benzene ring in para-orientation, minimal on/off current ratio was estimated. When the anchoring groups were connected to the benzene ring in meta-orientation, 1 order of magnitude on/o ff current ratio was calculated. Molecular orbital analysis was successfully employed to elucidate the difference in the photoswitching properties of the meta- and para-anchored isomers of salicylidene methylamine. This study demonstrates the potential application of aromatic Schiff bases as photodiodes in the field of molecular electronics. (Figure Presented).

AB - Photoswitching of conductance through both stable isomers of salicylidene methylamine was investigated using nonequilibrium Green's function method combined with density functional theory. This study demonstrates how the optically induced intramolecular proton transfer between the hydroxyl group and the amino group of salicylidene methylamine can lead to molecular size photodiode with on/off current ratio of 1 order of magnitude. It was further elucidated that the optical switching alone is not sufficient to realize the molecular switch. Of primary importance was found to be the anchoring between the molecule and the metal electrodes. When the anchoring groups were connected to the benzene ring in para-orientation, minimal on/off current ratio was estimated. When the anchoring groups were connected to the benzene ring in meta-orientation, 1 order of magnitude on/o ff current ratio was calculated. Molecular orbital analysis was successfully employed to elucidate the difference in the photoswitching properties of the meta- and para-anchored isomers of salicylidene methylamine. This study demonstrates the potential application of aromatic Schiff bases as photodiodes in the field of molecular electronics. (Figure Presented).

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