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Adsorbate-Selective Induced-Fit in an Ultramicroporous Metal-Organic Framework for Efficient CO2 Sieving
Qiang Zhang1, Zhi-Jian Fu1, Ze-Ying Qian1
1School of Materials Science and Engineering, Academy for Advanced Interdisciplinary Studies, Nankai University, Tianjin, China.
Small (Weinheim an Der Bergstrasse, Germany)
|March 19, 2026
Summary
A new metal-organic framework (MOF), NUM-19, efficiently separates carbon dioxide (CO2) from nitrogen (N2) and methane (CH4) using an adaptive pore structure. This breakthrough offers improved CO2 capture for environmental and industrial applications.
Area of Science:
- Materials Science
- Chemical Engineering
- Environmental Science
Background:
- Carbon dioxide (CO2) capture is crucial for environmental protection and industrial processes.
- Achieving high CO2 selectivity over nitrogen (N2) and methane (CH4) using molecular sieving is challenging.
- Flexible metal-organic frameworks (MOFs) show promise as selective adsorbents due to their responsive properties.
Purpose of the Study:
- To develop a robust MOF with an adaptive pore structure for efficient CO2 sieving.
- To investigate the CO2-responsive adsorption behavior of the MOF.
- To provide insights into the mechanism of selective CO2 adsorption.
Main Methods:
- Synthesis and characterization of a pillar-layered MOF (NUM-19).
- Single-crystal X-ray diffraction to study pore structure transformation.
- Gas adsorption and breakthrough experiments to evaluate separation performance.
- In situ spectroscopy and theoretical calculations to elucidate the adsorption mechanism.
Main Results:
- NUM-19 transforms from a large-pore to a narrow-pore phase upon solvent removal (NUM-19a).
- NUM-19a exhibits ultrahigh selectivities for CO2/N2 (3226) and CO2/CH4 (7010) under ambient conditions.
- Selective CO2 adsorption is driven by an induced-fit mechanism.
Conclusions:
- The adaptive pore nature of NUM-19a enables efficient CO2 sieving.
- NUM-19a demonstrates excellent performance in separating CO2 from N2 and CH4.
- This study offers valuable insights for designing advanced CO2-selective sorbents.

