Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
arXiv:1002.1677 · doi:10.1021/nl902822s
Abstract
We report a first-principles study of hydrogen storage media consisting of calcium atoms and graphene-based nanostructures. We find that Ca atoms prefer to be individually adsorbed on the zigzag edge of graphene with a Ca-Ca distance of 10 A without clustering of the Ca atoms, and up to six H2 molecules can bind to a Ca atom with a binding energy of ~0.2 eV/H2. A Ca-decorated zigzag graphene nanoribbon (ZGNR) can reach the gravimetric capacity of ~5 wt % hydrogen. We also consider various edge geometries of the graphene for Ca dispersion.
15 pages, 4 figures. Accepted for publication in Nano Letters
References in corpus (6)
- Half-Metallic Graphene Nanoribbons
- Titanium-decorated carbon nanotubes: a potential high-capacity hydrogen storage medium
- High-capacity hydrogen storage by metallized graphene
- Hydrogen storage of calcium atoms adsorbed on graphene: First-principles plane wave calculations
- Transition Metal-Ethylene Complexes as High-Capacity Hydrogen Storage Media
- Combinatorial Search for Optimal Hydrogen-Storage Nanomaterials Based on Polymers
Cited by in corpus (12)
- Prospects for hydrogen storage in graphene
- The Influence of Graphene Curvature on Hydrogen Adsorption: Towards Hydrogen Storage Devices
- Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
- Graphene-based technologies for energy applications, challenges and perspectives
- Hydrogen storage with titanium-functionalized graphene
- The high hydrogen adsorption rate material based on graphane decorated with alkali metals
- An Ab-initio study of the Y decorated 2D holey graphyne for hydrogen storage application
- Ab initio study of beryllium-decorated fullerenes for hydrogen storage
- Revealing the multi-bonding state between hydrogen and graphene-supported Ti clusters
- Polylithiated (OLi2) functionalized graphane as a potential hydrogen storage material
- Tuning Hydrogen Adsorption and Electronic Properties from Graphene to Fluorographone
- Revealing trends in catalytic activity of adatoms for hydrogen adsorption on carbon: a case study of graphene and carbon nanotube