Pore-Space Optimization of Multi-Functional Crystalline Porous Materials

The unique characteristics of metal-organic frameworks (MOFs) have sparked interests from scientists and engineers of diverse backgrounds, ushering in rapid development of MOF materials into a large multi-interdisciplinary field. Among different families of materials, the highly robust and modular partitioned-acs (pacs) platform is uniquely suited for the exploration of energy related applications. In the first section, upper and lower limits of pore metrics were mathematically derived and validated with new material synthesis. Many constructed structures also exhibit shapes and sizes that were previously thought of, as impossible to attain. A new strategy was then introduced to construct robust and versatile anionic MOFs. The effects of pore geometry and counter anions were systematically investigated on cationic pacs materials. Finally, sulfonation of pacs frameworks were carried out to harness the power associated with this interesting group. The enrichment of pacs platform with novel framework design methodologies, result in the construction of optimized materials with impressive properties in a range of gas storage and separation applications. The vast synthetic space of MOFs encompasses huge numbers of synthetic parameters and variations, giving us plenty of room to investigate new structural features and their related applications. In the second section, we explored novel material design and synthesis strategies to assemble molecular units into novel frameworks with desired functionalities. In particular, we examined ways to build effective ion-transport and magnetic coupling pathways in our new design strategies