Electronic and transport properties of graphene nanoflakes with the protrusion of different widths
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ORIGINAL PAPER
Electronic and transport properties of graphene nanoflakes with the protrusion of different widths Na Cheng 1,2
&
Liuyue Zhang 2 & Jianwei Zhao 2 & Yuanyuan He 2 & Binyang Du 1
Received: 6 May 2020 / Accepted: 3 August 2020 # Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract Theoretical investigation on the transport properties of graphene nanoflakes (GNFs) with protrusions has been performed with density-functional calculations by considering the influence of the structural symmetry. It is found that GNFs with different widths of protrusions exhibit distinctly different transport properties, depending on whether they are mirror symmetric with respect to the midplane (σ) between the two edges. For the symmetric models, electrons primarily pass through the edges of the GNFs with a small transmission probability. On the contrary, the electrons prefer to transit along one side of the GNFs with a high probability in the asymmetric models. Therefore, the conductivity of asymmetric models is greater than that of symmetric models. Keywords Graphene nanoflake . Molecular junction . Electron transport . Edge-protrusion
Introduction As manufacturing techniques in the development of the semiconductor industry, the miniaturization of silicon-based devices is moving closer to fundamental physical limits [1–3]. Recently, owing to fascinating electronic properties of graphene, its huge potential for application in the nanoelectronic devices is being widely explored [4, 5]. To achieve the applicable nanodevices, such as extremely sensitive sensors [6–10], supercapacitor [11, 12], and high-speed field-effect transistors [13, 14], it requires the graphene to be further tailored at the nanoscale.
Electronic supplementary material The online version of this article (https://doi.org/10.1007/s00894-020-04496-0) contains supplementary material, which is available to authorized users. * Jianwei Zhao [email protected] * Yuanyuan He [email protected] 1
MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Department of Polymer Science & Engineering, Zhejiang University, Hangzhou 310027, China
2
Key Laboratory of Yarn Materials Forming and Composite Processing Technology, Jiaxing University, Jiaxing 314001, China
Numerous attempts have been made for the purpose of obtaining multifunction carbon-based devices. Among them, tailoring is a very important method, which enables twodimensional graphene to be patterned into one-dimensional graphene nanoflakes (GNFs) via chemical/physical techniques [15–18]. The tailored GNFs have diverse currentvoltage (I-V) characteristics. The I-V curves of armchairedged GNFs with various widths increase at first but decrease thereafter, which may result in a negative differential resistance [19]. While the transport behavior of zigzag-edged GNFs shows a clearly odd-even effect [20, 21]. The asymmetric structures have linear I-V curves with the same slope regardless of the ribbon length, and symmetric structures have very small currents. Kvashnin et
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