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Based on density functional theory calculations with van der Waals corrected functional, we study the in‐ teractions between CO2 and two novel Aluminum‐Based metal‐organic frameworks (MOFs) with two kinds of organic linkers: 2, 5‐thiophenedicarboxylic acid (TDC), 2, 5‐furandicarboxylic acid (FDC), named Al‐TDC and Al‐FDC. Our calculations show that CO2 can interact with Al‐TDC and Al‐FDC MOFs via...
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