The partial density of states (pDOS) of the lithium decorated systems are plotted in Fig. 9 and show that in both the Li decorated defective silicene systems, both the Li (s) and Li (p) orbitals overlap with the H(s) orbital near -8 eV which indicates electronic interaction between the two species. As H exhibits most of its states near -8 eV, this overlap becomes paramount thus, the combined contribution of both Li (p) as well as Li (s) orbitals towards H2 adsorption is mainly responsible for the enhanced adsorption energies in the Li decorated systems.