• Corpus ID: 195767646

Twisted Helical shaped Graphene Nano-Ribbons: Role of Symmetries and Passivation

@article{Thakur2019TwistedHS,
  title={Twisted Helical shaped Graphene Nano-Ribbons: Role of Symmetries and Passivation},
  author={Rajesh Thakur and Pushpa Ahluwalia and Ashok Kumar and Munish Sharma and Raman Sharma},
  journal={arXiv: Materials Science},
  year={2019}
}
The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H and F AGNRs), subjected to twist deformation within fixed periodic boundary conditions, eventually morph to a helical conformations are investigated at few tractable points. Unlike structural properties, no effect of symmetries on mechanical properties is observed, though passivation does have a significant effect on mechanical as well as on electrical properties. Hookes law for severely twisted AGNRs indicates the high… 
2 Citations

Figures and Tables from this paper

Twist modulated Electronic band gap & Carriers Mobility of Graphene Helical

We have investigated the electronic band structure and carrier mobility of three types of AGNRs (N=6, 7 & 8) using Density functional theory combined with Deformation potential theory and Effective

References

SHOWING 1-10 OF 73 REFERENCES

Spontaneous twist and intrinsic instabilities of pristine graphene nanoribbons

In pristine graphene ribbons, disruption of the aromatic bond network results in depopulation of covalent orbitals and tends to elongate the edge, with an effective force of fe ∼ 2 eV/Å (larger for

Super flexibility and stability of graphene nanoribbons under severe twist.

The stable mechanical properties and structure changes of GNRs under severely twisted conditions makes them a good candidate in some polymers, enhancing the load transfer and interfacial bonding by adding the twisted GNRs.

Twist-enhanced stretchability of graphene nanoribbons: a molecular dynamics study

Graphene nanoribbons (GNRs) have many applications in electronics due to their exceptional mechanical, electronic and thermal properties. In order to utilize GNRs for stretchable electronics, it is

Mechanical properties of graphene nanoribbons

The most relevant results indicate that Young's modulus is considerable higher than those determined for graphene and carbon nanotubes, suggesting the potential for using carbon nanostructures in nano-electronic devices in the near future.

Graphene nanoribbons subject to gentle bends

Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high

Role of effective tensile strain in electromechanical response of helical graphene nanoribbons with open and closed armchair edges

There is a growing need to understand the mechanical and electronic properties of nonideal graphene nanoribbons. Using objective molecular dynamics and a density-functional-based tight-binding model,

Strain effect on electronic structures of graphene nanoribbons: A first-principles study.

Theoretical results show that the electronic properties of zigzag GNRs are not sensitive to uniaxial strain, while the energy gap modification of armchair GNRs (AGNRs) as a function of uniaXial strain displays a nonmonotonic relationship with a zgzag pattern.

Bending and buckling of narrow armchair graphene nanoribbons via STM manipulation

Semiconducting graphene nanoribbons (GNRs) are envisioned to play an important role in future electronics. This requires the GNRs to be placed on a surface where they may become strained. Theory
...