论文标题
非晶态碳基纳米管和纳米滚动的光电特性
Optoelectronic Properties of Amorphous Carbon-Based Nanotube and Nanoscroll
论文作者
论文摘要
独立的单层无定形碳（MAC）是一种纯碳结构，由随机分布的原子环组成，其尺寸不同，最近合成。在这项工作中，我们进行了从头算和紧密结合的计算，以研究MAC及其衍生的纳米管和纳米滚动构型的光电特性。我们的结果显示Mac，Tube和Scrolls表现出相似的电子行为。所有结构都从红外线到紫外线吸收，最大吸收峰为可见的 - 紫外线（$ \ sim 3.2 $ eV）。最大和最小反射率值在0.3-0.5（红外）和0.1-0.0（紫外线）范围内，使这些材料成为紫外线过滤器的好候选者。
Free-standing monolayer amorphous carbon (MAC) is a pure carbon structure composed of randomly distributed atom rings with different sizes, which was recently synthesized. In this work, we carried out ab initio and tight-binding calculations to investigate the optoelectronic properties of MAC and its derived nanotube and nanoscroll configurations. Our results show MAC, tube, and scrolls exhibit similar electronic behavior. All structures absorb from infrared to ultraviolet, with maximum absorption peaks the visible-ultra violet ($\sim 3.2$ eV). The maximum and minimum reflectivity values are in the range 0.3-0.5 (infrared) and 0.1-0.0 (ultraviolet), making these materials good candidates to ultraviolet filters.
