Figure 2
From: High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide
Reversibility screening of many candidates: (a) Calculated adsorption energies of CO2 molecules on M–porphyrin-like graphene and a variety of nanostructures. Inset shows the schematic of CO2 binding to the M site and colored-marked elements indicate data not available. (b) Calculated CO2 capture capacity, C(P,T), on M–porphyrin-like graphene for CO2 gas at 300 K under a CO2 pressure of 10−3 bar. Colored-marked bars indicate candidates which meet the requirements.
