Fig 16. Relaxed structures of the 28 H2adsorbed 1) Li decorated SV silicene system and b) Li decorated SW silicene system.
A comparison of the highest hydrogen binding energies of the systems studied in this study with other similar systems in literature is provided in Table 5. The Li decorated SV and SW defective silicene system can be seen to offer much higher hydrogen binding energies when compared to many of the previously reported systems. Coupled with the high gravimetric density due to the lesser size of the Li atom, this shows that lithium decoration and defect incorporation can thus be effectively used to enhance the hydrogen storage capabilities of silicene, creating competitive hydrogen storage materials.