Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers

By Valentina Tozzini, V. Pellegrini. 2011

179 citations recorded by the source corpus.

We propose a multilayer graphene-based device in which the storage and release of hydrogen are obtained by exploiting and controlling the corrugation of individual layers of graphene. By means of calculations based on the density-functional theory, we quantify the tunability of the hydrogen-graphene binding energies by changing the sheet out-of-plane deformation up to ±0.2 A. We show that the binding energy can be varied by more than 2 eV, with the convex regions allocating the energetically favored hydrogen binding sites. We simulate the process of hydrogen chemisorption on corrugated graphene and release under the application of time-dependent mechanical deformations. Our results show that the corrugation of the graphene sheet and the controlled inversion of its curvature yield fast storage and release of hydrogen. Our corrugated graphene multilayer system can potentially reach gravimetric capacities up to 8 wt % and reversibly store and release hydrogen by external control of the local curvature at roo...

Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/8a2a90028f7debd7fb156e1083f04a38e07fef1d

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In Electronic, Optical and Magnetic Materials

In Materials Chemistry

Citations in the corpus

Revealing the atomic structure of the buffer layer between SiC(0001) and epitaxial graphene (2011, background): “Also, atomic-resolution STM imaging of the buffer layer and QFMLG paves the way for adsorption studies on such layers [28].”
Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage (2015, background): “Moreover, the combination of chemical functionalization and curvature control opens new opportunities for hydrogen storage (8, 9).”
Functionalized graphene materials for hydrogen storage (2020, background): “There is an increment in binding energy by * 2 eV upon passing from concave to the convex region with C–H bonds becoming shorter and stronger [79].”
Graphene-based materials: synthesis and gas sorption, storage and separation (2015, background): “By controlling the corrugation of individual layers of graphene, the density functional theory (DFT) calculations estimate up to 8 wt% of H2 [127].”