Theoretical study on junctions in porphyrin oligomers for nanoscale devices

Hiroshi Mizuseki; Rodion V. Belosludov; Amir A. Farajian; Nobuaki Igarashi; Yoshiyuki Kawazoe

doi:10.1016/j.msec.2005.07.012

Theoretical study on junctions in porphyrin oligomers for nanoscale devices

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

Collaborative Research Center on Energy Materials

Research output: Contribution to journal › Article › peer-review

8 Citations (Scopus)

Abstract

A unimolecular rectifier could be built by combining two molecular sub-units that contain acceptor or donor groups. Porphyrin possesses good electron-donating properties due to its large, easily ionized, π-conjugated system. In this study, we propose that a rectifier diode could be created by combining two metal porphyrin molecules containing different metal atoms. This function would realize an effect similar to a p-n junction in a solid-state device. A Zn porphyrin-Ni porphyrin junction in a non-conjugated porphyrin system displays a localization of frontier orbitals that is similar to a rectifier function.

Original language	English
Pages (from-to)	718-721
Number of pages	4
Journal	Materials Science and Engineering C
Volume	25
Issue number	5-8
DOIs	https://doi.org/10.1016/j.msec.2005.07.012
Publication status	Published - 2005 Dec

Keywords

Molecular devices
Molecular electronics
Nano wire
Nanoelectronics
Nanostructure
Nanotechnology
Simulation
π-conjugated molecule

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1016/j.msec.2005.07.012

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title = "Theoretical study on junctions in porphyrin oligomers for nanoscale devices",

abstract = "A unimolecular rectifier could be built by combining two molecular sub-units that contain acceptor or donor groups. Porphyrin possesses good electron-donating properties due to its large, easily ionized, π-conjugated system. In this study, we propose that a rectifier diode could be created by combining two metal porphyrin molecules containing different metal atoms. This function would realize an effect similar to a p-n junction in a solid-state device. A Zn porphyrin-Ni porphyrin junction in a non-conjugated porphyrin system displays a localization of frontier orbitals that is similar to a rectifier function.",

keywords = "Molecular devices, Molecular electronics, Nano wire, Nanoelectronics, Nanostructure, Nanotechnology, Simulation, π-conjugated molecule",

author = "Hiroshi Mizuseki and Belosludov, {Rodion V.} and Farajian, {Amir A.} and Nobuaki Igarashi and Yoshiyuki Kawazoe",

note = "Funding Information: The authors would like to express their sincere thanks to the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University, for their continuous support in providing the HITAC SR8000-G1/64 supercomputing facilities. This study was performed through Special Coordination Funds for Promoting Science and Technology from the Ministry of Education, Culture, Sports, Science and Technology of the Japanese Government and a Grant for Basic Science Research Projects from the Sumitomo Foundation.",

year = "2005",

month = dec,

doi = "10.1016/j.msec.2005.07.012",

language = "English",

volume = "25",

pages = "718--721",

journal = "Materials Science and Engineering C",

issn = "0928-4931",

publisher = "Elsevier BV",

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T1 - Theoretical study on junctions in porphyrin oligomers for nanoscale devices

AU - Mizuseki, Hiroshi

AU - Belosludov, Rodion V.

AU - Farajian, Amir A.

AU - Igarashi, Nobuaki

AU - Kawazoe, Yoshiyuki

N1 - Funding Information: The authors would like to express their sincere thanks to the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University, for their continuous support in providing the HITAC SR8000-G1/64 supercomputing facilities. This study was performed through Special Coordination Funds for Promoting Science and Technology from the Ministry of Education, Culture, Sports, Science and Technology of the Japanese Government and a Grant for Basic Science Research Projects from the Sumitomo Foundation.

PY - 2005/12

Y1 - 2005/12

N2 - A unimolecular rectifier could be built by combining two molecular sub-units that contain acceptor or donor groups. Porphyrin possesses good electron-donating properties due to its large, easily ionized, π-conjugated system. In this study, we propose that a rectifier diode could be created by combining two metal porphyrin molecules containing different metal atoms. This function would realize an effect similar to a p-n junction in a solid-state device. A Zn porphyrin-Ni porphyrin junction in a non-conjugated porphyrin system displays a localization of frontier orbitals that is similar to a rectifier function.

AB - A unimolecular rectifier could be built by combining two molecular sub-units that contain acceptor or donor groups. Porphyrin possesses good electron-donating properties due to its large, easily ionized, π-conjugated system. In this study, we propose that a rectifier diode could be created by combining two metal porphyrin molecules containing different metal atoms. This function would realize an effect similar to a p-n junction in a solid-state device. A Zn porphyrin-Ni porphyrin junction in a non-conjugated porphyrin system displays a localization of frontier orbitals that is similar to a rectifier function.

KW - Molecular devices

KW - Molecular electronics

KW - Nano wire

KW - Nanoelectronics

KW - Nanostructure

KW - Nanotechnology

KW - Simulation

KW - π-conjugated molecule

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U2 - 10.1016/j.msec.2005.07.012

DO - 10.1016/j.msec.2005.07.012

M3 - Article

AN - SCOPUS:27744602153

SN - 0928-4931

VL - 25

SP - 718

EP - 721

JO - Materials Science and Engineering C

JF - Materials Science and Engineering C

IS - 5-8

ER -

Theoretical study on junctions in porphyrin oligomers for nanoscale devices

Abstract

Keywords

ASJC Scopus subject areas

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