The top-performing MOFs with respect to the high selectivity of CO 2 /H 2 O, however, have different characteristics from the ones having high CO 2 heat of adsorption, as shown in Fig. . The metal clusters include metals frequently used for synthesizing MOFs such as Cu, Zn, Cd. In particular, metal clusters Cu-based N232, and Zn-based N328 appear most frequently. Most metal nodes having open metal sites (like metal node N131) attract H 2 O more than CO 2 , and therefore the MOFs consisting of those metal nodes have low CO 2 /H 2 O selectivity. Also, given that functional groups with high electronegativity exhibit high H 2 O affinity and high affinity for CO 2 , the generated organic linkers of the high-performing MOFs, in this case, rarely include these branches. This shows that it is indeed a challenge to find a MOF having a good balance between CO 2 heat of adsorption and CO 2 /H 2 O selectivity . of adsorption (∼40 kJ/mol). It is important to note that these three structures are promising candidates for DAC, depending on the environment in which they are used.