High efficiency hydrogen purification through P2C3 membrane: A theoretical study*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11574167 and 11874033) and the KC Wong Magna Foundation in Ningbo University, China.

Chu Zhao-Qin1, 2, Gu Xiao1, 2, Duan Xiang-Mei1, 2, †
       

Electron density isosurfaces when (a) H2 and (b) CH4 molecules passing through P2C3 membrane. The isovalue is set to be 0.015 e/Å3.