Tunable Gravimetric and Volumetric Hydrogen Storage Capacities in Polyhedral Oligomeric Silsesquioxane Frameworks
Citations Over Time
Abstract
We study the hydrogen adsorption in porous frameworks composed of silsesquioxane cages linked via boron substituted aromatic structures by first-principles modeling. Such polyhedral oligomeric silsesquioxane (POSS) frameworks can be further modified by decorating them with metal atoms binding to the ring structures of the linkers. We have considered Sc- and Ti-doped frameworks which bind H2 via so-called Kubas interaction between hydrogen molecules and transition metal atoms. It will be demonstrated that the maximum H2 gravimetric capacity can be improved to more than 7.5 wt % by using longer linkers with more ring structures. However, the maximum H2 volumetric capacity can be tuned to more than 70 g/L by varying the size of silsesquioxane cages. We are optimistic that by varying the building blocks, POSS frameworks can be modified to meet the targets for the gravimetric and volumetric capacities set by the U.S. Department of Energy.
Related Papers
- → A comparison of hydrogen storage in activated carbons and a metal–organic framework (MOF-5)(2010)73 cited
- → New isoreticular metal-organic framework materials for high hydrogen storage capacity(2005)67 cited
- → High Volumetric Hydrogen Storage Capacity using Interpenetrated Metal–Organic Frameworks(2017)45 cited
- → Tunable Gravimetric and Volumetric Hydrogen Storage Capacities in Polyhedral Oligomeric Silsesquioxane Frameworks(2016)16 cited
- → Stability and Hydrogen Storage Properties of Mx-B6H6 Complexes (M = Y–Mo, Ru–Ag, x = 1–2)(2021)5 cited