Efficient CO2 Capture under Humid Conditions on a Novel Amide-Functionalized Fe-soc Metal-Organic Framework

Authors：Tu, Shi; Yu, Liang; Liu, Jiaqi; Lin, Danxia; Wu, Ying^*; Li, Zhong; Wang, Hao; Xia, Qibin^*

Source：ACS applied materials & interfaces, 2023.

DOI：10.1021/acsami.3c00096

• metal-organic frameworks
• adsorption
• CO2 capture
• amide-functionalized
• humidity

CO2 is the main source of the greenhouse gases, and its capture from flue gas under humid conditions is challenging but important for promoting carbon neutrality. Herein, we report a with highly efficient postcombusion CO2 capture performance by integrating multiple specific functionalities, such as unsaturated metal sites and amide functional groups. The CO2 adsorption capacity and CO2/N-2 selectivity of Fe-dbai are high up to 6.4 mmol/g and 64 (298 K, 1 bar), respectively, superior to many other reported MOFs. More importantly, the CO2 working capacity of Fe-dbai under 60% RH conditions preserves 94% of that under dry conditions in the breakthrough experiments of CO2/N-2 (15:85, v/v) mixtures. The molecular simulation highlights that the electronegative amide CO- group has a good affinity for CO2 and can improve the interaction between Fe UMS and CO2. Although H2O molecules will occupy a small fraction of the adsorption sites, the confinement effect it produces can enhance the adsorption affinity of the framework for CO2, which results in Fe-dbai retaining most of the CO2 adsorption capacity under humid conditions. The excellent CO(2 )capture performance makes Fe-dbai a potential candidate for the practical application of

• Institution
  广东工业大学; y