Porous dipeptide crystals as selective CO2 adsorbents: experimental isotherms vs. grand canonical Monte Carlo simulations and MAS NMR spectroscopy

Molecular crystals of dipeptides containing open channels can selectively absorb CO2 over N-2 and CH4, as shown by experimental and simulated isotherms. The efficient CO2 capture enabled separation from methane and allowed the direct observation by 2D MAS NMR of CO2 sequestered in the peptide-based biozeolites.