We found, by density functional calculation, that lithium atoms can be bonded to a graphene
layer alternately on both sides by distorting the relative positions of the carbon atoms in the …

While the speculation that graphene may owe double or even higher capacity of lithium
adsorption than graphite does remains speculative, there is growing evidence that defects …

Nanomaterials are anticipated to be promising storage media, owing to their high surface-to-
mass ratio. The high hydrogen capacity achieved by using graphene has reinforced this …

Density functional theory calculations with periodic boundary conditions were performed to
clarify the interaction between lithium atoms and a graphene sheet. Three types of graphene …

We have studied Li adsorption on graphene for Li concentrations ranging from about 1% to
50% by means of density functional theory calculations. At low adsorbant densities, we …

In order to identify the best and most promising graphene-lithium structures for battery
applications, we performed a systematic study of different multilayer graphene-lithium …

The technological potential of functionalized graphene has recently stimulated considerable
interest in the study of the adsorption of metal atoms on graphene. However, a complete …

Lithium adsorption on two dimensional graphene and armchair graphene nanoribbons is
studied using advanced density functional theory calculations. The relative stability of …

First-principles plane wave calculations predict that Li can be adsorbed on graphene
forming a uniform and stable coverage on both sides. A significant part of the electronic …

It is commonly accepted that the presence of nitrogen atoms in a graphene lattice improves
many properties of carbon materials and particularly enhances their electrochemical …