the adsorption of li and li + on silicene sheet: a dft study

Using dft calculations, we investigate the effect of adsorption defective silicene doped with lithium (li) and lithium ion (li+). the calculated results show that the energy gap was the same in mv and dv vacancy modified defected silicene doped with li but differences were seen in mv and dv vacancy modified defected silicene doped with li+. our results would present a new significant strategy to study new structures silicene-based devices and their interesting applications such as batteries