Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene

@article{Grantab2010AnomalousSC,
  title={Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene},
  author={Rassin Grantab and Vivek B. Shenoy and Rodney S. Ruoff},
  journal={Science},
  year={2010},
  volume={330},
  pages={946 - 948}
}
Perfect Imperfections Graphene is composed of six-atom rings, but will include a number of five- and seven-atom rings as defects. Using simulations, Grantab et al. (p. 946) show that more defects do not necessarily lead to greater deterioration of mechanical properties. Mismatches caused by differences in the orientation of neighboring crystals are divided into low- and high-angle grain boundaries, and typically it is the lower-angle boundaries that are stronger. In graphene, by contrast, the… Expand

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References

SHOWING 1-10 OF 56 REFERENCES
Topological defects in graphene: Dislocations and grain boundaries
Topological defects in graphene, dislocations and grain boundaries, are still not well understood despite the considerable number of experimental observations. We introduce a general approach forExpand
Tensile behaviors of graphene sheets and carbon nanotubes with multiple Stone–Wales defects
Abstract An atomistic based finite bond element model has been developed to study the effects of multiple Stone–Wales (5-7-7-5) defects on mechanical properties of graphene sheets and carbonExpand
Fracture and progressive failure of defective graphene sheets and carbon nanotubes
Abstract An atomistic based finite bond element model for the prediction of fracture and progressive failure of graphene sheets and carbon nanotubes is developed by incorporating the modified MorseExpand
Structural, chemical, and dynamical trends in graphene grain boundaries
Grain boundaries are topological defects that often have a disordered character. Disorder implies that understanding general trends is more important than accurate investigations of individual grainExpand
A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene
Abstract Molecular dynamics simulations have been performed to investigate the mechanical properties of hydrogen functionalized graphene for H-coverages spanning the entire range from graphene (H-0%)Expand
Direct evidence for atomic defects in graphene layers
TLDR
Observations in situ of defect formation in single graphene layers by high-resolution TEM are reported and are expected to be of use when engineering the properties of carbon nanostructures for specific device applications. Expand
Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations
Molecular mechanics (MM) calculations together with coupling methods bridging MM and finite crystal elasticity are employed to simulate the fracture of defected carbon nanotubes (CNTs) and to compareExpand
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
TLDR
Graphene is established as the strongest material ever measured, and atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime. Expand
Graphene: Status and Prospects
TLDR
This review analyzes recent trends in graphene research and applications, and attempts to identify future directions in which the field is likely to develop. Expand
STM investigation on interaction between superstructure and grain boundary in graphite
Abstract Interaction between superstructures and grain boundary in graphite has been investigated by STM. Through scanning for several times against the step of a terrace on the graphite substrate, aExpand
...
1
2
3
4
5
...