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).
|Journal||IOP Conference Series: Materials Science and Engineering|
|Publication status||Published - 5 Sep 2019|
|Event||1st International Conference on Design and Application of Engineering Materials 2018, IC-DAEM 2018 in conjunction with 11th Seminar Nasional Metalurgi dan Material, SENAMM 2018 - Bandung, Indonesia|
Duration: 6 Sep 2018 → 7 Sep 2018
- hydrogen storage
- Lennard-Jones potential
- molecular dynamics simulation