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, †
       

(a) The optimized P2C3 structure of 2 × 2 supercell. Pink and brown balls represent phosphorus and carbon atoms, respectively. (b) The cohesive energy of P2C3 as a function of the tensile strain.