  Black phosphorous is a layered material having a high capacity of 2596 mAh/g
as a battery electrode, however it suffers from cracking due to high volume
expansion during lithiation. These cracks causes loss of electrical contact in
the whole material, therefore capacity fades after further cycles of charging
and discharging. One needs a support material which would not crack with
lithiation of phosphorous in order to keep the electrical contact of the
material. Here, we considered phosphorene sandwiched between graphene layers.
By using density functional theory, we calculated voltages of lithiation,
sodiation, and potasiation of black phosphorous and phosphorene-graphene
heterostructure which compares well with the experimental results. We found low
voltages for both black phosphorous and phosphorene-graphene heterostructure
therefore these materials can be used as an anode electrode in lithium-ion,
sodium-ion, and potassium-ion batteries.
