Hydrogen is a key player in global strategies to reduce greenhouse gas emissions. In order make hydrogen widely used fuel, we require more efficient methods of storing it than the current standard pressurized cylinders. An alternative method adsorb ${\mathrm{H}}_{2}$ material and avoid use high pressures. Among many potential materials, layered materials such as graphene present practical advan...

332 catalysts, storage devices, etc. Carbon is considered a rich family for nanoscale systems, and it exhibits extensive functionalities which depend on its structural and functional arrangements. But not all members of the carbon family have become relevant for application in modern society. The most promising research has focused on two-dimensional (2D) graphene-based systems, with an exponen...

We propose titanium-decorated graphene oxide (Ti-GO) as an ideal sorbent for carbon monoxide (CO) capture and separation from gas mixtures. Based on first-principles calculations, Ti-GO exhibits a large binding energy of ~70 kJ mol(-1) for CO molecules, while the binding energies for other gases, such as N(2), CO(2), and CH(4), are significantly smaller. The gas adsorption properties of Ti-GO a...

Recent theoretical simulations predicted that graphene decorated with Ir adatoms could realize a two-dimensional topological insulator with a substantial band gap. Our understanding of how the electronic properties of graphene change in the presence of metal adatoms is however still limited, as the binding is quite complex involving static and dynamic correlation effects together with relativis...

B.M. Kessler, Ç. Ö. Girit, A. Zettl, and V. Bouchiat Department of Physics, University of California at Berkeley, Berkeley, California, 94720 USA Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California, 94720 USA Center of Integrated Nanomechanical Systems, Berkeley, California, 94720 USA Department of Physics, University of California at Berkeley, Berkeley, Cal...