fig6

Machine learning for prediction of CO<sub>2</sub>/N<sub>2</sub>/H<sub>2</sub>O selective adsorption and separation in metal-zeolites

Figure 6. (A) ML model construction for I prediction by ExtraTrees algorithm via six features; (B) Feature importance analysis. The adsorption selectivity heat map of (C) CO2/N2; (D) CO2/H2O and the promising structures of Zr-CHA-47, Nb-CHA-47, and Mo-CHA-47, respectively. CO2: Carbon dioxide; DFT: density functional theory; ML: machine learning; PLD: pore limiting diameter.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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