They examined the structural features of a Cu-MOF (metal–organic framework) to understand how that affected its CO2 absorption process. The work revealed defects in the copper atoms are important in aiding high CO2 adsorption performance.
Professor Richard Catlow, Principal Investigator on the project said, "Developing effective sorbents for CO2 will be needed if we are to meet the net zero target. Metal Organis Framewprks (MOFs) show great promise. This paper combines computational modelling with a range of experimental methods including X-Ray Spectroscopy using the facilities of Diamond Light Source to probe the fundamental structural and energetic aspects of CO2 adsorption in a widely studied MOF. The paper shows the power of this combined computational - experimental approach, and also demonstrates the efficacy of the Catalysis Hub and the Research Complex at Harwell in promoting successful national and international collaborations."
The work was carried out in collaboration with scientists from Johnson Matthey Technology Centre, University of Granada, Cardiff University, University of Milan, the Research Complex at Harwell (RCAH), ISIS Neutron and Muon Source and Diamond Light Source.