This manuscript presents experimental data for 20 adsorption materials (metal–organic frameworks, porous polymer networks, and Zeolite-5A), including CO₂ and N₂ isotherms and heat capacities. With input from only experimental data, working capacities per energy for each material were calculated. Furthermore, by running seven different carbon-capture scenarios in which the initial flue-gas composition and process temperature was systematically changed, we present a range of performances for each material and quantify how sensitive each is to these varying parameters. The presented calculations provide researchers with a tool to investigate promising carbon-capture materials more easily and completely.

Development of a photosensitizing system that can reversibly control the generation of singlet oxygen (¹O₂) is of great interest for photodynamic therapy (PDT). Recently several photosensitizer–photochromic-switch dyads were reported as a potential means of the ¹O₂ control in PDT. However, the delivery of such a homogeneous molecular dyad as designed (e.g., optimal molar ratio) is extremely challenging in living systems. Herein we show a Zr-MOF nanoplatform, demonstrating energy transfer-based ¹O₂ controlled PDT. Our strategy allows for tuning the ratios between photosensitizer and the switch molecule, enabling maximum control of ¹O₂ generation. Meanwhile, the MOF provides proximal placement of the functional entities for efficient intermolecular energy transfer. As a result, the MOF nanoparticle formulation showed enhanced PDT efficacy with superior ¹O₂ control compared to that of homogeneous molecular analogues.

The controlled generation of singlet oxygen is of great interest owing to its potential applications including industrial wastewater treatment, photochemistry, and photodynamic therapy. Two photochromic metal–organic frameworks, PC-PCN and SO-PCN, have been developed. A photochromic reaction has been successfully realized in PC-PCN while maintaining its single crystallinity. In particular, as a solid-state material which inherently integrates the photochromic switch and photosensitizer, SO-PCN has demonstrated reversible control of ¹O₂ generation. Additionally, SO-PCN shows catalytic activity towards photooxidation of 1,5-dihydroxynaphthalene.

Two metal–organic frameworks [PCN-426(Ni) and PCN-427(Cu)] have been designed and synthesized to investigate the structure predictability using a SBB (supermolecular building blocks) approach. Tetratopic ligands featuring 120° angular carboxylate moieties were coordinated with a [Ni₃(μ₃-O)] cluster and a [Cu₂O₂] unit, respectively. As topologically predicted, 4-connected networks with square coordination adopted the nbo net for the Ni-MOF and ssb net for the Cu-MOF. PCN-426(Ni) was augmented with 12-connected octahedral SBBs, while PCN-427(Cu) was constructed with tetragonal open channels. After a CO₂ supercritical drying procedure, the PCN-426(Ni) possessed a Brunauer–Emmett–Teller (BET) surface area as high as 3935 m² g⁻¹ and impressively high N₂ uptake of 1500 cm³ g⁻¹. This work demonstrates the generalization of the SBB strategy, finding an alternative to inconvenient synthetic processes to achieve the desired structural features.

Through topological rationalization, a zeotype mesoporous Zr-containing metal–organic framework (MOF), namely PCN-777, has been designed and synthesized. PCN-777 exhibits the largest cage size of 3.8 nm and the highest pore volume of 2.8 cm³ g⁻¹ among reported Zr-MOFs. Moreover, PCN-777 shows excellent stability in aqueous environments, which makes it an ideal candidate as a support to incorporate different functional moieties. Through facile internal surface modification, the interaction between PCN-777 and different guests can be varied to realize efficient immobilization.

Through topological rationalization, a zeotype mesoporous Zr-containing metal–organic framework (MOF), namely PCN-777, has been designed and synthesized. PCN-777 exhibits the largest cage size of 3.8 nm and the highest pore volume of 2.8 cm³ g⁻¹ among reported Zr-MOFs. Moreover, PCN-777 shows excellent stability in aqueous environments, which makes it an ideal candidate as a support to incorporate different functional moieties. Through facile internal surface modification, the interaction between PCN-777 and different guests can be varied to realize efficient immobilization.

The controlled generation of singlet oxygen is of great interest owing to its potential applications including industrial wastewater treatment, photochemistry, and photodynamic therapy. Two photochromic metal–organic frameworks, PC-PCN and SO-PCN, have been developed. A photochromic reaction has been successfully realized in PC-PCN while maintaining its single crystallinity. In particular, as a solid-state material which inherently integrates the photochromic switch and photosensitizer, SO-PCN has demonstrated reversible control of ¹O₂ generation. Additionally, SO-PCN shows catalytic activity towards photooxidation of 1,5-dihydroxynaphthalene.

Two stable, non-interpenetrated MOFs, PCN-521 and PCN-523, were synthesized by a symmetry-guided strategy. Augmentation of the 4-connected nodes in the fluorite structure with a rigid tetrahedral ligand and substitution of the 8-connected nodes by the Zr/Hf clusters yielded MOFs with large octahedral interstitial cavities. They are the first examples of Zr/Hf MOFs with tetrahedral linkers. PCN-521 has the largest BET surface area (3411 m² g^-1), pore size (20.5×20.5×37.4 Å) and void volume (78.5%) of MOFs formed from tetrahedral ligands. This work not only demonstrates a successful implementation of rational design of MOFs with desired topology, but also provides a systematic way of constructing non-interpenetrated MOFs with high porosity.

Two stable, non-interpenetrated MOFs, PCN-521 and PCN-523, were synthesized by a symmetry-guided strategy. Augmentation of the 4-connected nodes in the fluorite structure with a rigid tetrahedral ligand and substitution of the 8-connected nodes by the Zr/Hf clusters yielded MOFs with large octahedral interstitial cavities. They are the first examples of Zr/Hf MOFs with tetrahedral linkers. PCN-521 has the largest BET surface area (3411 m² g^-1), pore size (20.5×20.5×37.4 Å) and void volume (78.5%) of MOFs formed from tetrahedral ligands. This work not only demonstrates a successful implementation of rational design of MOFs with desired topology, but also provides a systematic way of constructing non-interpenetrated MOFs with high porosity.

Recent outbreaks of bacterial infection leading to human fatalities have been a motivational force for us to develop antibacterial agents with high potency and long-term stability. A novel cobalt (Co) based metal-organic framework (MOF) was tested and shown to be highly effective at inactivating model microorganisms. Gram-negative bacteria, Escherichia coli (strains DH5alpha and XL1-Blue) were selected to determine the antibacterial activities of the Co MOF. In this MOF, the Co serves as a central element and an octa-topic carboxylate ligand, tetrakis [(3,5-dicarboxyphenyl)-oxamethyl] methane (TDM⁸⁻) serves as a bridging linker. X-ray crystallographic studies indicate that Co-TDM crystallizes in tetragonal space group P2₁m with a porous 3D framework.

The potency of the Co-TDM disinfectant was evaluated using a minimal bactericidal concentration (MBC) benchmark and was determined to be 10–15 ppm within a short incubation time period (<60 min). Compared with previous work using silver nanoparticles and silver-modified TiO₂ nano- composites over the same time period, the MBC and effectiveness of Co-TDM are superior. Electron microscopy images indicate that the Co-TDM displayed distinctive grain boundaries and well-developed reticulates. The Co active sites rapidly catalyzed the lipid peroxidation, causing rupture of the bacterial membrane followed by inactivation, with 100% recycling and high persistence (>4 weeks). This MOF-based approach may lead to a new paradigm for MOF applications in diverse biological fields due to their inherent porous structure, tunable surface functional groups, and adjustable metal coordination environments.