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Electronic Transport Induced by Rotating Molecule in Molecular Devices

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Abstract

We investigated the effect of rotation of molecule on electronic transport properties in redox-based molecule devices using density functional theory and non-equilibrium Green’s function. The devices with oxidized form and reduced form exhibit a switching effect. The rotation of molecule changes the I–V characteristics of the devices, and influences the switching ratio. In addition, the rotation of molecule induces a clear negative differential resistance effect. It is concluded that the change of coupling between molecule and electrodes induced by rotating molecule determines the electronic transport of the device. The results suggest a way to modulate the electronic transport by changing the spatial distribution of molecule in molecular circuite.

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ACKNOWLEDGMENTS

This work is supported by National Natural Science Foundation Joint Fund Key Project under grant no. U1865206, National Science and Technology Major Project under grant no. 2017- VII-0012-0107, and Guangdong Province Key Area R & D Program under grant no. 2019B090909002.

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Authors and Affiliations

  1. School of Science, Jiangnan University, 214122, Wuxi, China

    Yamin Wu & Baoan Bian

  2. College of Nuclear Science and Technology, Beijing Normal University, 100875, Beijing, China

    Bin Liao

  3. Guangdong Guangxin Ion Beam Technology Co., Ltd, 510000, Guangzhou, China

    Guoliang Wang

Authors
  1. Yamin Wu
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  2. Bin Liao
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  3. Guoliang Wang
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  4. Baoan Bian
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Correspondence to Baoan Bian.

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Wu, Y., Liao, B., Wang, G. et al. Electronic Transport Induced by Rotating Molecule in Molecular Devices. Russ. J. Phys. Chem. 96, 1044–1050 (2022). https://doi.org/10.1134/S003602442214028X

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  • DOI: https://doi.org/10.1134/S003602442214028X

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