Field emission mechanisms of graphitic nanostructures
Field emission mechanisms of graphitic nanostructures
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DOI：
10.1103/physrevb.70.245410
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发表时间：
2004-10
影响因子：
3.7
通讯作者：
M. Araidai;Yasuhiro Nakamura;Kazuyuki Watanabe
中科院分区：
文献类型：
--
作者：
M. Araidai;Yasuhiro Nakamura;Kazuyuki Watanabe
采用基于含时密度泛函理论的第一性原理方法研究了石墨纳米结构的场发射和电子态起源。我们发现，石墨带的FE电流的变化显着依赖于氢终止和所施加的电场的方向。此外，来自石墨烯片的FE电流在空位缺陷周围显示出显著增加。我们验证了，通过分析的本地电子结构和能量分布的发射电子，悬挂键（或$\ensuremath{\sigma}$）字符是负责这些结果和管理的性质的石墨纳米结构的FE。
Field emission (FE) and the electronic-states origin of graphitic nanostructures were investigated by first-principles calculations based on time-dependent density-functional theory. We find that the FE current from graphitic ribbons changes remarkably depending on the hydrogen termination and the direction of the applied electric field. Also, the FE current from graphene sheets shows a dramatic increase around vacancy defects. We verified, through the analysis of local electronic structures and energy distributions of emitted electrons, that the dangling-bond (or $\ensuremath{\sigma}$) character is responsible for these results and governs the nature of the FE of graphitic nanostructures.