Helium separation via porous silicene based ultimate membrane

Area of Science:

• Materials Science
• Nanotechnology
• Computational Chemistry

Background:

• Growing demand for purified helium in scientific and industrial sectors.
• Need for advanced separation technologies for efficient helium purification.

Purpose of the Study:

• To investigate the potential of porous silicene as a membrane for helium purification.
• To evaluate the selectivity of defective silicene for helium over other gases.

Main Methods:

• First-principles calculations were employed to model helium permeation through silicene.
• Analysis of energy barriers for helium and other gas molecules (Ne, Ar) through pristine and defective silicene.

Main Results:

• Pristine silicene is impermeable to helium due to a high energy barrier (1.66 eV).
• Porous silicene with Stone-Wales or divacancy defects exhibits lower energy barriers for helium (0.33–0.78 eV).
• Defective silicene demonstrates formidable barriers for Ne, Ar, and other gases, indicating high selectivity.

Conclusions:

• Porous silicene, particularly with divacancy defects, is a promising material for ultimate helium purification.
• Silicene-based membranes show superior He/Ne and He/Ar selectivity compared to graphene, polyphenylene, and conventional membranes.