Supporting Information
Table S1.The lattice parameters of TM3(HITP)2 MOFs. Table S2. The adsorption energy of nitrogen adsorbed by TM3(HITP)2 MOFs, the Gibbs free energy of the first hydrogenation and the Gibbs free energy of the sixth hydrogenation. Table S3. Charge transfer of metal atoms and electronegativity of transi...
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2025
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