Abstract

The scientific literature on grain boundaries (GBs) in graphene was reviewed. The review focuses mainly on the experimental findings on graphene grown by chemical vapor deposition (CVD) under a very wide range of experimental conditions (temperature, pressure hydrogen/hydrocarbon ratio, gas flow velocity and substrates). Differences were found in the GBs depending on the origin of graphene: in micro-mechanically cleaved graphene (produced using graphite originating from high-temperature, high-pressure synthesis), rows of non-hexagonal rings separating two perfect graphene crystallites are found more frequently, while in graphene produced by CVD—despite the very wide range of growth conditions used in different laboratories—GBs with more pronounced disorder are more frequent. In connection with the observed disorder, the stability of two-dimensional amorphous carbon is discussed and the growth conditions that may impact on the structure of the GBs are reviewed. The most frequently used methods for the atomic scale characterization of the GB structures, their possibilities and limitations and the alterations of the GBs in CVD graphene during the investigation (e.g. under e-beam irradiation) are discussed. The effects of GB disorder on electric and thermal transport are reviewed and the relatively scarce data available on the chemical properties of the GBs are summarized. GBs are complex enough nanoobjects so that it may be unlikely that two experimentally produced GBs of several microns in length could be completely identical in all of their atomic scale details. Despite this, certain generalized conclusions may be formulated, which may be helpful for experimentalists in interpreting the results and in planning new experiments, leading to a more systematic picture of GBs in CVD graphene.

Highlights

  • The scientific literature on grain boundaries (GBs) in graphene was reviewed

  • In the case of graphene, the geometric complexity is reduced by reducing the dimensionality of the system to only 2, but further complications may arise due to the differences in the conditions under which the graphene GBs may be produced by using the different chemical vapor deposition (CVD) methods developed recently [5], or the extreme temperature and pressure conditions used during high-temperature recrystallization of pyrocarbons

  • A clear distinction should be made between exfoliated graphene either from HOPG or from natural graphite as both are produced at very high temperatures and high pressures and the graphene grown by CVD

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Summary

Structural models

GBs in graphene are often classified as ordered and disordered or as regular and amorphous. Using a somewhat similar method, bringing structures closer to ordered GBs than disordered ones, Malola et al [30] cut two ribbons out of graphene with edges parallel to an arbitrary direction R = na1 + ma, where a1 and a2 are the lattice vectors of graphene. One edge of both ribbons was passivated and molecular dynamics was applied to the atoms while increasing the temperature up to 1500 K. Due to the 180◦-rotational transformation of the first ribbon, the misorientation angle, here defined as the angle between the zigzag directions of the grains located on both sides of the GB5, is twice

Large-angle GB
Effects of the formation temperature on the structure of the grain boundaries
Grain boundaries in epitaxial graphene on SiC
Intragranular and intergranular grain boundaries
Grain boundaries in chemical vapor deposition graphene grown on molten Cu
Electric transport
Thermal transport
Chemical properties of the grain boundaries
Chemical treatment and optical characterization of grain boundaries
10. Mechanical strength of grain boundaries
Findings
11. Summary and outlook
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