Department of Materials, University of Oxford , Parks Road, Oxford OX1 3PH, United Kingdom.
ACS Nano. 2013 Nov 26;7(11):9860-6. doi: 10.1021/nn403517m. Epub 2013 Oct 22.
Extended linear arm chair defects are intentionally fabricated in suspended monolayer graphene using controlled focused electron beam irradiation. The atomic structure is accurately determined using aberration-corrected transmission electron microscopy with monochromation of the electron source to achieve ∼80 pm spatial resolution at an accelerating voltage of 80 kV. We show that the introduction of atomic vacancies in graphene disrupts the uniformity of C-C bond lengths immediately surrounding linear arm chair defects in graphene. The measured changes in C-C bond lengths are related to density functional theory (DFT) calculations of charge density variation and corresponding DFT calculated structural models. We show good correlation between the DFT predicted localized charge depletion and structural models with HRTEM measured bond elongation within the carbon tetragon structure of graphene. Further evidence of bond elongation within graphene defects is obtained from imaging a pair of 5-8-5 divacancies.
采用受控制的聚焦电子束辐照,在悬浮的单层石墨烯中有意制造扩展线性扶手椅缺陷。原子结构使用具有电子源单色化的校正像差的透射电子显微镜来精确确定,在 80kV 的加速电压下实现了约 80pm 的空间分辨率。我们表明,在石墨烯中引入原子空位会破坏线性扶手椅缺陷周围的 C-C 键长的均匀性。测量到的 C-C 键长变化与电荷密度变化的密度泛函理论(DFT)计算和相应的 DFT 计算结构模型有关。我们表明,DFT 预测的局部电荷耗尽与 HRTEM 测量的在石墨烯的碳四方结构内的键伸长之间存在良好的相关性。从对一对 5-8-5 双空位的成像中获得了石墨烯缺陷内键伸长的进一步证据。