基于第一性原理计算的双电子性质哑铃形石墨烯纳米带边缘效应的理论研究

2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) Pub Date : 2019-09-01 DOI:10.1109/SISPAD.2019.8870398

Qinqiang Zhang, T. Kudo, Jowesh Gounder, Ying Chen, Ken Suzuki, H. Miura

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引用次数: 2

摘要

采用第一原理计算方法，对哑铃形石墨烯纳米带(DS-GNRs)的电子能带结构(带隙)和电子传输特性进行了理论研究，以阐明其电子性能的主要控制因素，为其在各种智能传感器中的应用奠定基础。发现DS-GNR的电子性能随各部分宽度方向的碳原子总数、半导体部分的长度、金属部分的宽度等因素的组合而发生巨大变化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Theoretical Study of the Edge Effect of Dumbbellshape Graphene Nanoribbon with a Dual Electronic Properties by First-principle Calculations

The electronic band structure (band gap) and electronic transmission properties of dumbbell-shape graphene nanoribbons (DS-GNRs), which consists of a thinner semiconductive GNR and two wider metallic GNRs at its both ends, was theoretically investigated using first-principles calculation to clarify the dominant controlling factors of their electronic performance for their applications to various smart sensors. The electronic properties of the DS-GNR was found to vary drastically depending on the combination of the total number of carbon atoms along the width direction of each portion, the length of the semiconductive portion, the width of the metallic portion, and so on.

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2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD)

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