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arXiv 1407.4274cond-mat.mes-hall
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石墨烯中60个keV电子驱动的硅碳键反转

Silicon-carbon bond inversions driven by 60 keV electrons in graphene

Toma Susi, Jani Kotakoski, Demie Kepaptsoglou, Clemens Mangler, Tracy C. Lovejoy, Ondrej L. Krivanek, Recep Zan, Ursel Bangert, Paola Ayala, Jannik C. Meyer, Quentin Ramasse

摘要:

我们证明,60 keV的电子辐照驱动的三重协调的硅掺杂剂在石墨烯中的扩散一个晶格位置的时间。第一性原理模拟表明,每个步骤是由电子对邻近掺杂剂的C原子的撞击引起的。虽然原子运动的发生低于我们的实验时间分辨率,38个这样的晶格跳跃的随机分析揭示了一个很好的协议与模拟发生的概率。从三到四重协调掺杂剂结构的转换和随后的反向过程是显着不太可能比直接键反转。因此,我们的研究结果提供了一个模型的非破坏性和原子精确的结构修改和检测的二维材料。

英文摘要:

We demonstrate that 60 keV electron irradiation drives the diffusion of threefold coordinated Si dopants in graphene by one lattice site at a time. First principles simulations reveal that each step is caused by an electron impact on a C atom next to the dopant. Although the atomic motion happens below our experimental time resolution, stochastic analysis of 38 such lattice jumps reveals a probability for their occurrence in a good agreement with the simulations. Conversions from three- to fourfold coordinated dopant structures and the subsequent reverse process are significantly less likely than the direct bond inversion. Our results thus provide a model of non-destructive and atomically precise structural modification and detection for two-dimensional materials.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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