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. |
(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. |