• 文献标题:   Large-scale experimental and theoretical study of graphene grain boundary structures
  • 文献类型:   Article
  • 作  者:   OPHUS C, SHEKHAWAT A, RASOOL H, ZETTL A
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Univ Calif Berkeley
  • 被引频次:   30
  • DOI:   10.1103/PhysRevB.92.205402
  • 出版年:   2015

▎ 摘  要

We have characterized the structure of 176 different single-layer graphene grain boundaries grown with chemical vapor deposition using >1000 experimental high-resolution transmission electron microscopy images using a semiautomated structure processing routine. We introduce an algorithm for generating grain boundary structures for a class of hexagonal two-dimensional materials and use this algorithm and molecular dynamics to simulate the structure of >79 000 linear graphene grain boundaries covering 4122 unique orientations distributed over the entire parameter space. The dislocation content and structural properties are extracted from all experimental and simulated boundaries, and various trends are explored. We find excellent agreement between the simulated and experimentally observed grain boundaries. Our analysis demonstrates the power of a statistically significant number of measurements as opposed to a small number of observations in atomic science.