“…As reported by Rezvan et al, pristine B 3 CN 4 could hold hydrogen molecules with an average adsorption energy of −0.21 to −0.47 eV/H2 with a gravimetric density of 10.7 wt % . Light alkali-decorated B, N, C, and berellium (Be) compounds also show promising responses toward hydrogen adsorption. , There is an experimental evidence of the improved performance of van der Waals heterostructures in nano-electronics applications, sensors, optoelectronics, and photocatalyst. − Improvement of hydrogen storage by the TiO2/Mxene heterostructure has also been experimentally verified . Heterostructures built inside the metal hydrides are reported to boost hydrogen storage as well as the reversibility process …”