University of Limerick
Sensharma_2022_CO2.pdf (5.21 MB)

CO2 capture by hybrid ultramicroporous TIFSIX-3-Ni under humid conditions using non-equilibrium cycling

Download (5.21 MB)
journal contribution
posted on 2024-02-23, 09:55 authored by Saif Ullah, Kui Tan, Debobroto SensharmaDebobroto Sensharma, Naveen KumarNaveen Kumar, Soumya MukherjeeSoumya Mukherjee, Andrey BezrukovAndrey Bezrukov, Jing Li, MICHAEL ZAWOROTKOMICHAEL ZAWOROTKO, Timo Thonhauser

Although pyrazine-linked hybrid ultramicroporous materials (HUMs, pore size <7 Å) are benchmark physisorbents for trace carbon dioxide (CO2) capture under dry conditions, their affinity for water (H2O) mitigates their carbon capture performance in humid conditions. Herein, we report on the co-adsorption of H2O and CO2 by TIFSIX-3- Ni—a high CO2 affinity HUM—and find that slow H2O sorption kinetics can enable CO2 uptake and release using shortened adsorption cycles with retention of ca. 90% of dry CO2 uptake. Insight into co-adsorption is provided by in situ infrared spectroscopy and ab initio calculations. The binding sites and sorption mechanisms reveal that both CO2 and H2O molecules occupy the same ultramicropore through favorable interactions between CO2 and H2O at low water loading. An energetically favored water network displaces CO2 molecules at higher loading. Our results offer bottom-up design principles and insight into co-adsorption of CO2 and H2O that is likely to be relevant across the full spectrum of carbon capture sorbents to better understand and address the challenge posed by humidity to gas capture.


Crystal Engineering of Task-Specific Materials

Science Foundation Ireland

Find out more...

Green Adsorbents for Clean Energy (GrACE)

Science Foundation Ireland

Find out more...

SYNergistic SORBents

European Research Council

Find out more...

Ionic Ultramicroporous Polymer Adsorbents for Energy-efficient Purification of Commodity Chemicals

Science Foundation Ireland

Find out more...

Kinetics and Thermodynamics of Gaseous Mixtures in Nano-Confined Environments

Office of Basic Energy Sciences

Find out more...



Angewandte Chemie International Edition, 2022, 61, e202206613


Wiley and Sons Ltd.,

Also affiliated with

  • Bernal Institute

Sustainable development goals

  • (13) Climate Action

Department or School

  • Chemical Sciences

Usage metrics

    University of Limerick


    Ref. manager