• Corpus ID: 250144245

Discovery of nanographene for hydrogen storage solving low reversibility issues

@inproceedings{Sunnardianto2022DiscoveryON,
  title={Discovery of nanographene for hydrogen storage solving low reversibility issues},
  author={Gagus Ketut Sunnardianto and Yusuf Wicaksono and Halimah Harfah and Koichi Kusakabe},
  year={2022}
}
We found good reversibility of hydrogen uptake-release in vacancy-centered hexagonal armchair nanographene (VANG) based on density functional theory calculation. VANG has triply hydrogenated vacancy (V 111 ) at the center acts as a self-catalytic property to reduce an activation barrier of hydrogen uptake-release. We found remarkable features in an almost equal value of the activation energy barrier of 1.19 eV for hydrogen uptake and 1.25 eV for hydrogen release on V 111 of VANG. The… 

Figures from this paper

References

SHOWING 1-10 OF 43 REFERENCES

Storing-hydrogen processes on graphene activated by atomic-vacancies

Graphene nanostructures as tunable storage media for molecular hydrogen.

A proper account of the contribution of quantum effects to the free energy and the equilibrium constant for hydrogen adsorption suggest that the U.S. Department of Energy specification can be approached in a graphite-based physisorption system by optimizing the structures of nano-graphite platelets, which are light-weight, cheap, chemically inert, and environmentally benign.

Hydrogen Storage in Graphene-Based Materials: Efforts Towards Enhanced Hydrogen Absorption

The discovery in 2004 that graphene can be produced by micromechanical exfoliation brought forth a plethora of unique electronic, mechanical, thermal and optical properties of this first stable two

Prospects for hydrogen storage in graphene.

On-going efforts and studies on functionalized and nanostructured graphene for hydrogen storage are reviewed and possible developments for efficient storage/release of hydrogen under ambient conditions are suggested.

First principles studies for the dissociative adsorption of H2 on graphene

We investigate and discuss the interaction of H2 with graphene based on density functional (DFT) theory. We calculate the potential energy surfaces for the dissociative adsorption of H2 on highly

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

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.

Hydrogen Storage in Liquid Organic Hydride: Producing Hydrogen Catalytically from Methylcyclohexane

Hydrogen storage for stationary and mobile applications is an expanding research topic. One of the more promising hydrogen storage techniques relies on the reversibility and high selectivity of

Theoretical Analysis of Pseudodegenerate Zero-Energy Modes in Vacancy-Centered Hexagonal Armchair Nanographene

Deriving mathematical expressions for two zero modes for a π-band tight-binding model, we identify a class of bipartite graphs having the same number of subgraph sites, where each graph represents

Tailoring Hydrogen Storage Materials Towards Application

A breakthrough in hydrogen storage technology was achieved by preparing nanocrystalline hydrides using high‐energy ball milling and the use of suitable catalysts/additives. These new materials show