Group IV graphene- and graphane-like nanosheets

@article{Garcia2011GroupIG,
  title={Group IV graphene- and graphane-like nanosheets},
  author={Joelson Cott Garcia and Denille Brito de Lima and Lucy V. C. Assali and Jo{\~a}o Francisco Justo},
  journal={Journal of Physical Chemistry C},
  year={2011},
  volume={115},
  pages={13242-13246}
}
We performed a first-principles investigation on the structural and electronic properties of group IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated graphane-like ones. The analysis on the energetics, associated with the formation of those structures, showed that fluorinated graphane-like sheets are very stable and should be easily synthesized in the laboratory. We also studied the changes of the properties of the… 

Figures and Tables from this paper

Graphene’s cousin: the present and future of graphane

TLDR
This review article covers the important aspects of graphane including its theoretically predicted structures, properties, fabrication methods, as well as its potential applications.

Stacks of graphene with silicane or germanane: a first-principles study

We report the results of density-functional theory calculations on the stability and properties of hybrid layered systems composed of graphene and silicane or germanane monolayers. We find that the

Stability and electronic structures of group IV semiconductor alloy nanosheets: A first-principles study

The structural stability and electronic properties of graphene-like alloy nanosheets composed of group IV elements, such as monolayer SixGe1−x, GexSn1−x, and SixSn1−x, are systematically investigated

Electronic structures of silicene fluoride and hydride

Silicene is the graphene-like silicon nanosheet, which has been synthesized very recently [B. Lalmi, H. Oughaddou, H. Enriquez, A. Kara, S. Vizzini, B. Ealet, and B. Aufray, Appl. Phys. Lett. 97,

Evidence of a graphene-like Sn-sheet on a Au(111) substrate: electronic structure and transport properties from first principles calculations.

TLDR
For a layer of tin atoms, while a buckled structure is preferred in the free state, a planar graphene-like atomic arrangement is stabilized on the gold support and corroborates the metal-like band structure of the planar stanene in comparison to the semi-metallic buckled configuration.
...

References

SHOWING 1-10 OF 31 REFERENCES

First-principles investigation of graphene fluoride and graphane

Different stoichiometric configurations of graphane and graphene fluoride are investigated within density functional theory. Their structural and electronic properties are compared, and we indicate

Hydrogen compounds of group-IV nanosheets

The structural and electronic properties of the hydrides of silicene and germanene have been studied using ab initio calculations. The trend for the M–H (M=C, Si, and Ge) bond lengths, and

Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane

TLDR
This work illustrates the concept of graphene as a robust atomic-scale scaffold on the basis of which new two-dimensional crystals with designed electronic and other properties can be created by attaching other atoms and molecules.

Two- and one-dimensional honeycomb structures of silicon and germanium.

TLDR
First-principles calculations of structure optimization, phonon modes, and finite temperature molecular dynamics predict that silicon and germanium can have stable, two-dimensional, low-buckled, honeycomb structures, which show remarkable electronic and magnetic properties, which are size and orientation dependent.

FACILE SYNTHESIS AND CHARACTERIZATION OF GRAPHENE NANOSHEETS

Graphene nanosheets were produced in large quantity via a soft chemistry synthetic route involving graphite oxidation, ultrasonic exfoliation, and chemical reduction. X-ray diffraction and

Structural theory of graphite and graphitic silicon

The graphitic phases of C and Si are studied with the use of the pseudopotential local-density-functional approach. For graphite, good agreement with experiment is obtained for the in-plane lattice

Graphane: a two-dimensional hydrocarbon

We predict the stability of an extended two-dimensional hydrocarbon on the basis of first-principles total-energy calculations. The compound that we call graphane is a fully saturated hydrocarbon

Functionalized adamantane: Building blocks for nanostructure self-assembly

We report first-principles calculations on the electronic and structural properties of chemically functionalized adamantane molecules, either in isolated or crystalline forms. Boron and nitrogen

First-principles study of graphite monofluoride (CF)n.

The structure and the electronic properties of graphite monofluoride (CF) 4 have been studied within the framework of the density-functional technique, using nonlocal ionic pseudopotentials and a