Fig 7. The variation in the potential energy and temperature for the Li adatom decorated substrates for a) SV silicene and b) SW silicene at 300 K

3.4 H2 adsorption on Li Decorated Defective Silicene

In order to model H2 adsorption onto the lithium decorated silicene substrates, H2 molecules were symmetrically placed at a height of 2 Å above Li decorated SV silicene and Li decorated SW silicene and were allowed to relax. The relaxed configurations can be observed in Fig. 8 respectively.