Defective UiO-66-NH2 monoliths for optimizing CO2 capture performance

Insights into the Spray Synthesis of UiO-66 and UiO-66-NH2 Metal–Organic Frameworks: Effect of Zirconium Precursors and Process Parameters

“…The high CO2 uptake and Qst values of sp-UiO-66(Pr) can be attributed to defects in the UiO-66 crystal skeleton generated by rapid crystallization. These defects act as CO2 adsorption sites, resulting in a higher CO2 uptake and Qst [37,38]. Figure 8 shows the CO 2 adsorption isotherms at 273 and 298 K and the isosteric heat of adsorption (Q st ) for b-UiO-66(Pr) and sp-UiO-66(Pr).…”

“…The high CO 2 uptake and Q st values of sp-UiO-66(Pr) can be attributed to defects in the UiO-66 crystal skeleton generated by rapid crystallization. These defects act as CO 2 adsorption sites, resulting in a higher CO 2 uptake and Q st [37,38].…”

Emerging porous materials for carbon dioxide adsorptive capture: progress and challenges

“…3B). In addition, defect control in porous materials could also influence the pore structure with enhancements to the pore volume and surface area, 35–37 giving rise to a further boost in capacity.…”

The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture

“…Finally, most datasets are restricted to pristine materials. In reality, MOFs will contain a wide range of defects that may govern their adsorption properties under practical conditions. , New materials can also be created by inserting defects in MOFs via so-called defect-engineering . Large datasets of high-quality DFT simulations of mixed CO 2 and H 2 O adsorption on realistic pristine and defective MOFs are needed to address these limitations.…”