Tuning the Exponential Decay Factor in Oligophenylene Molecular Junctions with Graphene Nanoribbon Electrodes

Wence Ding; Guang Liu; Xiaobo Li; Guanghui Zhou

doi:10.1063/1674-0068/cjcp2112285

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Wence Ding, Guang Liu, Xiaobo Li, Guanghui Zhou. Tuning the Exponential Decay Factor in Oligophenylene Molecular Junctions with Graphene Nanoribbon Electrodes[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2112285

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Wence Ding, Guang Liu, Xiaobo Li, Guanghui Zhou. Tuning the Exponential Decay Factor in Oligophenylene Molecular Junctions with Graphene Nanoribbon Electrodes[J]. Chinese Journal of Chemical Physics . doi: 10.1063/1674-0068/cjcp2112285

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Tuning the Exponential Decay Factor in Oligophenylene Molecular Junctions with Graphene Nanoribbon Electrodes

doi: 10.1063/1674-0068/cjcp2112285

Wence Ding¹,
Guang Liu^{1, 2},
Xiaobo Li³,
Guanghui Zhou^{1, 4
,
,}

1.
Department of Physics and Key Laboratory for Low-Dimensional Structures and Quantum Manipulation (Ministry of Education), Hunan Normal University, Changsha 410081, China
2.
Department of Physics and Institute for Quantum Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, China
3.
Department of Applied Physics, School of Microelectronics and Physics, Hunan University of Technology and Business, Changsha 410205, China
4.
Department of Physics, College of Sciences, Shaoyang University, Shaoyang 422001, China

More Information

Corresponding author: E-mail: ghzhou@hunnu.edu.cn
Received Date: 2021-12-24
Accepted Date: 2022-03-23

Available Online: 2022-04-20

Abstract

Abstract

We explore the transport properties of oligophenylene molecular junctions, where the center molecule containing 1, 2, or 3 phenyls is sandwiched between two graphene nanoribbons (GNR) with different edge shapes. According to the obtained results of the first-principles calculations combined with non-equilibrium Green's function method, we find that the molecular length-dependent resistance of all examined oligophenylene molecular junctions follows well the exponential decay law with different slopes, and the exponential decay factor is sensitive to the edge shape of GNRs and the molecule-electrode connecting configuration. These observations indicate that the current through the oligophenylene molecular junction can be effectively tuned by changing the edge shape of GNRs, the molecular length, and the molecular contacting configuration. These findings provide theoretical insight into the design of molecular devices using GNRs as electrodes.
- Molecular junction,
- Graphene electrode,
- Transport property,
- Ab initio calculation

These authors contributed equally to this work.

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References(48)

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