Regioselectivity control of graphene functionalization by ripples.

@article{Gao2011RegioselectivityCO,
  title={Regioselectivity control of graphene functionalization by ripples.},
  author={Xingfa Gao and Ying Wang and Xin Liu and Tzu-Liang Chan and Stephan Irle and Yuliang Zhao and Shengbai Zhang},
  journal={Physical chemistry chemical physics : PCCP},
  year={2011},
  volume={13 43},
  pages={
          19449-53
        }
}
Ripples naturally occur in graphene sheets. First-principles calculations reveal that, by altering the pyramidalization angles of the carbon atoms, these ripples can be used to direct the chemical reactivity of graphene towards hydrogenation. A fraction of the carbon atoms of a rippled graphene, located around the crests and troughs, show significantly increased reactivity. The remaining carbon atoms have comparable reactivity to those in a flat graphene. To illustrate the increased reactivity… 
View on PubMed
rsc.org
43 Citations
Background Citations
4

Figures and Tables from this paper

43 Citations

Citation Type

Citation Type

Regioselective Oxidation of Strained Graphene for Controllable Synthesis of Nanoribbons
We propose a regioselective unzipping and cutting of strained graphene by oxidation to form graphene nanoribbons (GNRs) of controllable width with well-defined and smooth edges at low temperature.…
Π-Bond maximization of graphene in hydrogen addition reactions.
TLDR
The π-bond maximization principle also holds approximately for the fluorination reactions of graphene and can be used to help locate the lowest-energy structures for graphene hydrides and to estimate the hydrogenation energy without first-principles calculations.
The chemistry of pristine graphene.
TLDR
Current approaches for the preparation of modified pristine graphene are reviewed, which encompass the use of graphite as initial material and are directed to wet chemical approaches toward high-quality graphene flakes.
Inducing regioselective chemical reactivity in graphene with alkali metal intercalation.
TLDR
This work shows that alkali metal atoms intercalated between metal substrates and adsorbed graphene monolayers can be used with arbitrary adsorbates and substrate defects, provided such structures are stable, towards controlling the mesoscale patterning and chemical functionalisation of graphene structures.
Controlling the nanoscale rippling of graphene with SiO2 nanoparticles.
TLDR
The structure and elastic properties of graphene grown by chemical vapour deposition and transferred onto a continuous layer of SiO2 nanoparticles with diameters of around 25 nm are studied, prepared on a Si substrate by the Langmuir-Blodgett technique.
Wavy graphene sheets from electrochemical sewing of corannulene†
TLDR
An electrochemical bottom-up method to obtain egg-box shaped nanographene structures through a polycondensation of corannulene that produces a new conducting layered material with wavy graphene-like structure is reported.
DFT modeling of the covalent functionalization of graphene: from ideal to realistic models
The production of multiple types of graphene, such as free standing, epitaxial graphene on silicon carbide and metals, graphene in solution, chemically grown graphene-like molecules, various graphene…
Morphing Graphene-Based Systems for Applications: Perspectives from Simulations
Graphene, the one-atom-thick sp2-hybridized carbon crystal, displays unique electronic, structural and mechanical properties, which promise a large number of interesting applications in diverse…
Quantum Chemical Calculation of Reactions Involving C20, C60, Graphene and H2O
Calculations of chemical reactions between C20, C60, hydrogen and water molecules are carried out using the PM3 method. Reactions with a hydrogen release at room temperature and atmospheric pressure…
Chemistry and physics of a single atomic layer: strategies and challenges for functionalization of graphene and graphene-based materials.
TLDR
This critical review describes some of the important chemical and physical processes for graphene functionalization and identifies six major challenges in graphene research.
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 40 REFERENCES
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.
Formation of hydrogenated graphene nanoripples by strain engineering and directed surface self-assembly
We propose a class of semiconducting graphene-based nanostructures: hydrogenated graphene nanoripples (HGNRs), based on continuum-mechanics analysis and first-principles calculations. They are formed…
Enhancement of Chemical Activity in Corrugated Graphene
Simulation of the chemical activity of corrugated graphene within density functional theory predicts an enhancement of its chemical activity if the ratio of height of the corrugation (ripple) to its…
Intrinsic ripples in graphene.
TLDR
It is found that ripples spontaneously appear owing to thermal fluctuations with a size distribution peaked around 80 A which is compatible with experimental findings and might be due to the multiplicity of chemical bonding in carbon.
Midgap states in corrugated graphene: Ab-initio calculations and effective field theory
We investigate the electronic properties of corrugated graphene and show how rippling-induced pseudo-magnetic fields alter graphene's low-energy electronic properties by combining first-principle…
Transport properties of corrugated graphene nanoribbons
The transport properties of the devices made by corrugated graphene nanoribbons were investigated using the density functional theory in combination with the nonequilibrium Green’s function method.…
Corrugation of chemically converted graphene monolayers on SiO(2).
TLDR
Experimental observations and molecular dynamics simulations show that interaction with the substrate greatly suppresses the intrinsic corrugation of graphene materials, suggesting that the substrate roughness, not the chemical addends nor the thermal cycling, is the predominant determinant in the graphene corrugations.
Controlled ripple texturing of suspended graphene and ultrathin graphite membranes.
TLDR
The first direct observation and controlled creation of one- and two-dimensional periodic ripples in suspended graphene sheets, using both spontaneously and thermally generated strains are reported, elucidate the ripple formation process and can be understood in terms of classical thin-film elasticity theory.
Tuning the electronic properties of corrugated graphene: Confinement, curvature, and band-gap opening
It is shown that for monolayer graphene electrons are confined on a perfect two dimensional surface. The implications for the electronic properties of corrugated graphene are discussed in view of a…
Periodically rippled graphene: growth and spatially resolved electronic structure.
TLDR
Real space measurements by scanning tunneling spectroscopy reveal the existence of electron pockets at the higher parts of the ripples, as predicted by a simple theoretical model.
...
1
2
3
4
...