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. 2022 Sep 19;7(39):34929–34943. doi: 10.1021/acsomega.2c03512

Figure 5.

Figure 5

DOS of (a) the isolated Ca12O12 nanocage, (b) the CO2@Ca12O12 gas-adsorbed nanocage, (c) the SO2@Ca12O12 gas-adsorbed nanocage, (d) the NO2@Ca12O12 gas-adsorbed nanocage revealing their energy gap and contributions in the HOMO and LUMO orbital.