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

We have studied the adsorption of Li atoms at the hollow sites of graphene nanoribbons
(zigzag and armchair), graphene, and fullerenes by means of density functional theory …

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 …

The characteristics of lithium adsorption on graphene and periodic graphene nanobuds
(PGNBs) have been studied by means of density functional theory calculations. All …

Inspired by the experimental synthesis of novel boron-doped graphene nanoribbon (BGNR),
we have performed density functional theory (DFT) calculations to reveal the adsorption …

The present work investigates the adsorption behavior of lithium (Li) atoms on beryllium-
doped zigzag graphene nanoribbons (ZGNR). The adsorption, open-circuit voltage, and …

Motivated by the increased interest in graphene oxide derivatives for Li-ion battery
applications, the interaction of Li atoms and various oxygen-terminated graphene …

We performed a systematic density functional theory (DFT) study of the adsorption of Lithium
adatom and its dimer on graphene using SIESTA package [1], in the generalized gradient …

Using density-functional theory calculations, we studied the electronic properties of
graphene nanoribbons (GNRs) with potassium (K) atoms adsorption on the edges of GNRs …

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 …