Apart from DOS, we also deduced electronic structures for unraveling the deeper insights of electronic properties and the results are presented in Figure . The results suggest that introduction of one Li into the WS 2 /graphene heterostructure alters the band structure by partially pushing the Dirac cone of graphene. Moreover the CBM of WS 2 located at the Γ-point also noticed to be partially shifted towards the bonding region while lithiation. This observation again supports the charge transfer from Li to graphene as well as WS 2 as explained previously.