Figure 10: A theoretical study on the Li storage in the nanopores with their inner surfaces decorated with pyridinic and pyrrolic N.

(a) The simplified model with a large hole inside the 2D graphene and (b–d) the space for Li storage model with one, eight and eighteen Li atoms, respectively. (both from top view and side view) The black, blue, white and pink balls refer to carbon, nitrogen, hydrogen and lithium atoms, respectively.