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Lightweight 2D materials due to its large surface area are being studied forits hydrogen storage applications. The characteristics of hydrogen adsorptionon the electric field-induced h-BN bilayer were investigated. The overallstorage capacity of the bilayer is 6.7 wt% from our theoretical calculationwith E ads of 0.308 eV/H$_2$. The desorption temperature for H$_2$ moleculesfrom the h-BN bilayer system in the absence of an external electric field is243 K. With the introduction of an external electric field, the E$_{\rm ads}$lies in the range 0.311-0.918 eV/H$_2$ with a desorption temperature of 245-725K. The charge transfer analysis reveals that 0.001-0.008 |e| of electroniccharge transfer between the h-BN bilayer and H$_2$ molecules. Henceforth, theadsorption mechanism is through a weak Van der waals interaction. Our resultsshow that the external electric field enhances the average adsorption energy aswell as the desorption temperature and thus making the h-BN bilayer a promisingcandidate for hydrogen storage.

Enhanced H$_2$ storage capacity of the bilayer hexagonal Boron  Nitride(h-BN) incorporating Van der Waals interaction under applied external  electric field