Negative differential resistance in oligomeric phenylene ethynylenes molecular device with C2N-h2D nanoribbon electrodes

Using non-equilibrium Green's function (NEGF) combined with the density functional theory (DFT) first-principles method, we perform a theoretical study for oligomeric phenylene ethynylenes (OPE) molecule sandwiched between different C2N-h2D nanoribbon electrodes. The results point to the conclu...

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Bibliographic Details
Published in:Japanese Journal of Applied Physics 2020-12, Vol.59 (12)
Main Authors: Tang, Xiao-Jie, Xia, Cai-Juan, Fang, Qing-Long, Hu, Zhen-Yang, Yu, Jiao, Zhang, Ting-Ting
Format: Article
Language:English
Subjects:
Density functional theory
Electrodes
Electron transport
Electronic transport properties
First principles
Molecular devices
Molecular electronics
Nanoribbons
Negative differential resistance
Transport properties
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Summary:Using non-equilibrium Green's function (NEGF) combined with the density functional theory (DFT) first-principles method, we perform a theoretical study for oligomeric phenylene ethynylenes (OPE) molecule sandwiched between different C2N-h2D nanoribbon electrodes. The results point to the conclusion that the electronic transport properties of the devices depend greatly on the edge and width of the C2N-h2D nanoribbon electrodes. A significant NDR effect can be observed for the molecular devices with armchair-edged C2N-h2D and zigzag-edged C2N-h2D nanoribbons electrodes when W = 1.0, which suggests that C2N-h2D nanoribbons have great potential in the field of molecular electronics.
ISSN:0021-4922
1347-4065
DOI:10.35848/1347-4065/abc6bf