From Inorganic to Organic Strategy To Design Porous Aromatic Frameworks for High-Capacity Gas Storage

Abstract

Developing high-capacity gas storage materials is still an important issue, because it is closely related to carbon dioxide capture and hydrogen storage. This work proposes a “from inorganic to organic” strategy, that is, using tetrakis­(4-bromophenyl)­methane (TBM) to replace silicon in zeolites, to design porous aromatic frameworks (PAF_XXXs) with extremely high pore volume and accessible surface area, because the silicon atom in the silicon-based zeolites and the TBM ligand have the same coordination manner. Through the adoption of this strategy, 115 organic PAF_XXXs based on the inorganic zeolite structures were designed. These designed PAF_XXXs have the same topology with the corresponding matrix zeolites but possess significantly higher porosity than matrix zeolites. In general, the surface area, pore volume, and pore size of PAF_XXX are in the ranges of 4600–6000 m<sup>2</sup>/g, 2.0–7.9 g/cm<sup>3</sup>, and 10–55 Å, respectively. In particular, the hydrogen uptake of PAF_RWY reaches 5.9 wt % at 100 bar and 298 K, exceeding the DOE 2015 target (5.5 wt %) for hydrogen storage. Moreover, PAF_RWY is also a promising candidate for methane storage and CO<sub>2</sub> capture, owing to its extremely high pore volume and accessible surface area

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