Light weight 2D materials due to its large surface area are being studied for its hydrogen storage applications. The characteristics of hydrogen adsorption on the electric field induced h-BN bilayer were investigated. The overall storage capacity of the bilayer is 6.7 wt% from our theoretical calculation with E ads of 0.308 eV/H 2 . The desorption temperature for H 2 molecules from the h-BN bilayer system in the absence of external electric field is ∼ 243 K. With the introduction of external electric field, the E ads lies in the range 0.311-0.918 eV/H 2 with a desorption temperature of 245-725 K. The charge transfer analysis reveals that 0.001-0.008 |e| of electronic charge transfer between the h-BN bilayer and H 2 molecules. Henceforth, the adsorption mechanism is through a weak Van der waals interaction. Our results shows that the external electric field enhances the average adsorption energy as well as the desorption temperature and thus making the h-BN bilayer a promising candidate for hydrogen storage.
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