The development of highly efficient hydrogen storage materials is one of the main
challenges that must be tackled in a widely expected hydrogen economy. Physisorption in …

A high-capacity hydrogen storage medium—Al-adsorbed graphene—is proposed based on
density-functional theory calculations. We find that a graphene layer with Al adsorbed on …

A promising material for hydrogen storage at room temperature–Al doped graphene is
proposed theoretically by using density functional theory calculation. Hydrogen storage …

The characteristics of hydrogen adsorption on Li-doped defective graphene systems were
investigated using density functional theory (DFT) calculations. Four types of defective …

Lithium decoration is an effective strategy for improving the hydrogen adsorption binding
energy and the storage capacity in carbon nanostructures. Here, it is shown that Li …

We conducted a detailed theoretical investigation of the structural and electronic properties
of single and double sided Pd-functionalized graphene and NH-doped Pd-functionalized …

Abstract Development of novel carbon-based nanoporous materials with high reversible
capacity and excellent cycling stability is a hot topic in the field of hydrogen delivery and …

Doping of porous carbon materials with metallic atoms, clusters and nanoparticles is viewed
as a way to enhance the hydrogen storage in those materials. Transition metals are dopants …

A detailed theoretical investigation of the structural and electronic properties of Cu-type
substrates as well as the interaction between adsorbed H 2 molecules and the surfaces of …

Al-decorated, single-walled carbon nanotube has been investigated for hydrogen storage
applications by using Density Functional Theory (DFT) based calculations. Single Al atom …