Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
Nanoscale. 2013 Oct 7;5(19):9062-6. doi: 10.1039/c3nr02326e. Epub 2013 Aug 6.
Helium purification has become more important for increasing demands in scientific and industrial applications. In this work, we demonstrated that the porous silicene can be used as an effective ultimate membrane for helium purification on the basis of first-principles calculations. Prinstine silicene monolayer is impermeable to helium gas with a high penetration energy barrier (1.66 eV). However, porous silicene with either Stone-Wales (SW) or divacancy (555,777 or 585) defect presents a surmountable barrier for helium (0.33 to 0.78 eV) but formidable for Ne, Ar, and other gas molecules. In particular, the porous silicene with divacancy defects shows high selectivity for He/Ne and He/Ar, superior to graphene, polyphenylene, and traditional membranes.
氦气的净化对于满足科学和工业应用中的高需求变得愈发重要。在这项工作中，我们通过第一性原理计算证明了多孔硅烯可以作为氦气净化的有效终极膜。原始硅烯单层对氦气是不可渗透的，其渗透能垒很高（1.66eV）。然而，具有石-威尔士（Stone-Wales，SW）或双空位（555、777 或 585）缺陷的多孔硅烯对氦气（0.33-0.78eV）具有可克服的势垒，但对氖气、氩气和其他气体分子则具有难以逾越的势垒。特别地，具有双空位缺陷的多孔硅烯对 He/Ne 和 He/Ar 的选择性很高，优于石墨烯、聚苯和传统膜。
