Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene
arXiv:1007.4985 · doi:10.1126/science.1196893
Abstract
Using molecular dynamics simulations and first principles calculations, we have studied the structure and mechanical strength of tilt grain boundaries in graphene sheets that arise during CVD growth of graphene on metal substrates. Surprisingly, we find that for tilt boundaries in the vicinity of both the zig-zag and arm-chair orientations, large angle boundaries with a higher density of 5-7 defect pairs are stronger than the low-angle boundaries which are comprised of fewer defects per unit length. Interestingly, the trends in our results cannot be explained by a continuum Griffith-type fracture mechanics criterion, which predicts the opposite trend due to that fact that it does not account for the critical bonds that are responsible for the failure mechanism. We have identified the highly-strained bonds in the 7-member rings that lead to the failure of the sheets, and we have found that large angle boundaries are able to better accommodate the strained 7-rings. Our results provide guidelines for designing growth methods to obtain grain boundary structures that can have strengths close to that of pristine graphene.
References in corpus (4)
- Graphene Segregated on Ni surfaces and Transferred to Insulators
- Topological Defects in Graphene: Dislocations and Grain Boundaries
- Room-temperature ferromagnetism in graphite driven by 2D networks of point defects
- Effect of randomly occurring Stone-Wales defects on mechanical properties of carbon nanotubes using atomistic simulation
Cited by in corpus (65)
- Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide
- Imaging Grains and Grain Boundaries in Single-Layer Graphene: An Atomic Patchwork Quilt
- Control and Characterization of Individual Grains and Grain Boundaries in Graphene Grown by Chemical Vapor Deposition
- Polycrystalline graphene and other two-dimensional materials
- Novel effects of strains in graphene and other two dimensional materials
- Accurate Measurement of the Cleavage Energy of Graphite
- Electronic and plasmonic phenomena at graphene grain boundaries
- Toughness and Strength of Nanocrystalline Graphene
- Charge Transport in Polycrystalline Graphene: Challenges and Opportunities
- Mechanical properties of polycrystalline graphene based on a realistic atomistic model
- Families of superhard crystalline carbon allotropes induced via cold-compressed graphite and nanotubes
- Grain Boundary Loops in Graphene
- The deformation of wrinkled graphene
- Lattice Defects and the Mechanical Anisotropy of Borophene
- Scanning Tunneling Microscopy Study and Nanomanipulation of Graphene-Coated Water on Mica
- Scaling Properties of Polycrystalline Graphene: A Review
- Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
- Revealing the grain structure of graphene grown by chemical vapor deposition
- Dangling bonds and magnetism of grain boundaries in graphene
- Strain induced conductance modulation in graphene grain boundary
- Grain Boundaries in Graphene on SiC(000) Substrate
- Unexpected large thermal rectification in asymmetric grain boundary of graphene
- Tuning Structures and Electronic Spectra of Graphene Layers by Tilt Grain Boundaries
- One-dimensional quantum channel in a graphene line defect
- Modeling of the self-limited growth in catalytic chemical vapor deposition of graphene
- Modeling electronic, mechanical, optical and thermal properties of graphene-like BCN materials: Role of prominent BN-bonds
- Topological Aspects of Charge-Carrier Transmission across Grain Boundaries in Graphene
- What Is Armchair-Zigzag Grain Boundary Structure in Graphene?
- Electronic transport across linear defects in graphene
- Suppression of Grain Boundaries in Graphene Growth on Superstructured Mn-Cu(111) Surface
- Mechanical Properties and Failure Behavior of Phosphorene with Grain Boundaries
- Scattering by linear defects in graphene: a continuum approach
- A molecular dynamics investigation of the mechanical properties of graphene nanochain
- A theoretical study of the hydrogen-storage potential of (H_2)_4CH_4 in metal organic framework materials and carbon nanotubes
- A kinematic study of energy barriers to crack formation in graphene tilt boundaries
- Effect of grain boundary on the buckling of graphene nanoribbons
- Mechanical relaxation and fracture of phase field crystals
- Quantized Dislocations
- Two-dimensional Graphene Heterojunctions: the Tunable Mechanical Properties
- A Generalized Read-Shockley Model and Large Scale Simulations for the Energy and Structure of Graphene Grain Boundaries
- Elastocaloric Effect in Graphene Kirigami
- High performance of carbon nanotube refrigerators over a large temperature span
- Intervalley scattering of graphene massless Dirac fermions at 3-periodic grain boundaries
- Yielding and jerky plasticity of tilt grain boundaries in high-temperature graphene
- Tunable Band Structures of Polycrystalline Graphene by External and Mismatch Strains
- Stabilization and self-passivation of symmetrical grain boundaries by mirror symmetry breaking
- Boundaries Determine the Formation Energies of Lattice Defects in Two-Dimensional Buckled Materials
- Ideal Strength of Doped Graphene
- First-Principle Study of Dislocation Slips in Impurity Doped Graphene
- Enhanced Elastocaloric Effects in γ-graphyne
- Impact of grain boundary characteristics on thermal transport in polycrystalline graphene: Analytical results
- Rippled nanocarbons from periodic arrangements of reordered bivacancies in graphene or SWCNTs
- Structural dynamics of polycrystalline graphene
- Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids
- Interface collisions with diffusive mass transport
- Domain (Grain) Boundaries and Evidence of Twin Like Structures in CVD Grown Graphene
- Multiscale mechanics of thermal gradient coupled graphene fracture: A molecular dynamics study
- Graphene Design with Parallel Cracks: Abnormal Crack Coalescence and Its Impact on Mechanical Properties
- Molecular Simulation of Fracture Dynamics of Symmetric Tilt Grain Boundaries in Graphene
- Strengthening and Weakening by Dislocations in Monolayer MoS2
- Quantum Filtering of Hydrogen Isotopes through Graphene
- Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons
- Analytical Energy Formalism and Kinetic Effects of Grain Boundary: A Case Study of Graphene
- Deep Learning Segmentation of Complex Features in Atomic-Resolution Phase Contrast Transmission Electron Microscopy Images
- Numerical correction of anti-symmetric aberrations in single HRTEM images of weakly scattering 2D-objects