论文标题

1D有限宽地石墨烯纳米替临系统:碱化和氢化

1D finite-width graphene nanoribbon systems: alkalization and hydrogenation

论文作者

Li, Wei-Bang, Wang, Yu-Ming, Chung, Hsien-Ching, Lin, Ming-Fa

论文摘要

石墨烯是第一种真正的二维(2D)材料,在费米能量附近拥有类似锥形的能量光谱,并被视为无间隙的半导体。其独特的特性触发了研究人员的更多应用,例如在室温下高载体迁移率,高导电性,高模量和拉伸强度,高透明度和异常量子厅效应。但是,无间隙特征限制了石墨烯纳米电子学的发展。制作一维石墨烯条(即石墨烯纳米纤维(GNRS))可能是调节石墨烯电子和光学特性的最有希望的方法之一。从理论上预测了电子和光学特性,并对边缘和宽度高度敏感。可调电子和光学性能进一步暗示了GNR应用的可能性。最近,GNR系统正在考虑悬空的债券问题。色带边缘的各种钝化可能会改变物理特性。在这项工作中,研究了一些钝化条件,例如碱化和氢化。

Graphene is the first truly two-dimensional (2D) material, possessing a cone-like energy spectrum near the Fermi energy and treated as a gapless semiconductor. Its unique properties trigger researchers to find more applications of it, such as high carrier mobility at room temperature, superior thermoconductivity, high modulus and tensile strength, high transparency, and anomalous quantum Hall effect. However, the gapless feature limits the development of graphene nanoelectronics. Making one-dimensional (1D) strips of graphene (i.e., graphene nanoribbons (GNRs)) could be one of the most promising approaches to modulating the electronic and optical properties of graphene. The electronic and optical properties have been theoretically predicted and experimentally verified highly sensitive to the edge and width. The tunable electronic and optical properties further imply the possibilities of GNR application. Recently, the dangling bond problem is under consideration in the GNR system. Various passivation at the ribbon edge might change the physical properties. In this work, some passivation conditions are studied, such as alkalization and hydrogenation.

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