Study of Si Surface Adsorption Towards Hydrogen Molecule

Abstract

Recent approaches to address more efficient method on storing hydrogen by using adsorbent materials has been done. The hydrogen adsorption on silicon has been studied through molecular dynamics simulations and experiment by researchers. We conducted molecular dynamics simulation using a Lennard-Jones potential to demonstrate the hydrogen adsorption capability of silicon surface (001) and (111) with various temperature applied. The amount of hydrogen adsorbed by silicon surfaces are higher as entropy of the system decreases. Without considering entropy, Si (111) has higher adsorption capability due to its lower energy surface than Si (001).