Controlled (de-)hydrogenation of corrugated graphene

Graphene-based systems are being considered as elements for hydrogen-storage devices. Covalent adsorption-desorption, however, require overcoming relatively high energy barriers. By means of DFT calculations and simulations, we show the possibility of inducing the chemi(-de)sorption process by controlling the corrugation of a graphene sheet. We propose a device scheme for H storage-release operating at room conditions. Current experiments in our group indicate the feasibility of such approach. Further improvements in storage capability are made possible by chemical functionalization of the graphene sheets