Large-scale experimental and theoretical study of graphene grain boundary structures

C Ophus, A Shekhawat, H Rasool, A Zettl - Physical Review B, 2015 - APS
Physical Review B, 2015APS
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 …
We have characterized the structure of 176 different single-layer graphene grain boundaries grown with chemical vapor deposition using 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 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.
American Physical Society
以上显示的是最相近的搜索结果。 查看全部搜索结果