在石墨烯中以尺寸为依赖的载体流动性和极性理论预测
Meng-Qiu Long1, Ling Tang, Dong Wang
1Department of Chemistry, Tsinghua University, Beijing 100084, PR China.
Journal of the American Chemical Society
|November 21, 2009
概括
石墨烯带带载体的移动性严重取决于其宽度. 扶手椅石墨烯带根据其特定的碳结构表现出交替的电子和孔移动性值,不同于齐克扎克带.
科学领域:
- 凝聚物质物理学 凝聚物质物理学
- 材料科学 材料科学 材料科学
- 计算物理 计算物理
背景情况:
- 石墨烯带是纳米电子设备的有希望的材料.
- 载体流动性是决定电子性能的一个关键参数.
- 结构变异对石墨烯电子特性的影响需要详细研究.
研究的目的:
- 为了研究扶手椅石墨烯带的宽度依赖的载体移动性.
- 为了比较椅子和曲折式石墨烯丝带的电子运输特性.
主要方法:
- 第一个原则密度函数理论 (DFT) 计算.
- 用于载体移动性分析的变形潜力理论.
主要成果:
- 扶手椅石墨烯带显示了显著的宽度依赖的载体移动性.
- 对于宽度为N = 3k的扶手椅带,电子流动性达到~10^6cm^2V^-1s^-1,而孔流动性是~10^4cm^2V^-1s^-1.
- 对于 N = 3k+1 或 3k+2 的扶手椅带,孔的移动性为 4-8 x 10^5 cm^2 V^-1 s^-1,电子的移动性为 ~10^4 cm^2 V^-1 s^-1.
- 这种交替的移动性行为在曲的石墨烯丝带中没有观察到.
结论:
- 扶手椅石墨烯带的宽度极大地决定了它们的载体移动性.
- 定制扶手椅石墨烯带的宽度为控制其电子性能提供了一条途径.
- 齐格扎格石墨烯带不表现出与扶手椅对应物相同的宽度依赖的移动性调制.
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