• 文献标题:   Atomic Mechanisms for the Si Atom Dynamics in Graphene: Chemical Transformations at the Edge and in the Bulk
  • 文献类型:   Article
  • 作  者:   ZIATDINOV M, DYCK O, JESSE S, KALININ SV
  • 作者关键词:   atom dynamic, electron microscopy, graphene, machine learning
  • 出版物名称:   ADVANCED FUNCTIONAL MATERIALS
  • ISSN:   1616-301X EI 1616-3028
  • 通讯作者地址:   Oak Ridge Natl Lab
  • 被引频次:   0
  • DOI:   10.1002/adfm.201904480 EA NOV 2019
  • 出版年:   2019

▎ 摘  要

The dynamic behavior of e-beam irradiated Si atoms in the bulk and at the edges of single-layer graphene is examined using scanning transmission electron microscopy (STEM). A deep learning network is used to convert experimental STEM movies into coordinates of individual Si and carbon atoms. A Gaussian mixture model is further used to establish the elementary atomic configurations of the Si atoms, defining the bonding geometries and chemical species and accounting for the discrete rotational symmetry of the host lattice. The frequencies and Markov transition probabilities between these states are determined. This analysis enables insight into the defect populations and chemical transformation networks from the atomically resolved STEM data. Here, a clear tendency is observed for the formation of a 1D Si crystal along zigzag direction of graphene edges and for the Si impurity coupling to topological defects in bulk graphene.