Fig. 4 | Nature Communications

Fig. 4

From: Carbon dioxide capture and conversion by an acid-base resistant metal-organic framework

Fig. 4

Mechanism of CO2 adsorption of FJI-H14. a Experimental and simulated excess CO2 adsorption isotherms at 195 K. b Background-subtracted FTIR spectra of CO2 adsorbed on FJI-H14 at decreasing equilibrium pressure. c Density picture of adsorbed CO2 (1 CO2 at 273 K), which is shown as a volume rendered mode. d–f represent three preferential CO2 locations in FJI-14 obtained from GCMC simulation and DFT optimization

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