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Nanomaterials for Hydrogen and Gas Storage
Hydrogen and natural gas are increasingly being explored as an alternate source of energy. Hydrogen can be used directly in a combustion engine or to generate electricity in a fuel cell and natural gas is currently a commercially viable fuel source. To effectively use either hydrogen or natural gas one has to design cost effective and safe means of storage and transportation. In this regard nanomaterials have emerged as the primary candidates. Our focus is to assess the potential of novel adsorbent nanomaterials for the storage of hydrogen and methane using a synergistic combination of ab initio, classical and continuum simulations to assess the engineering and on-board delivery capabilities of target nanomaterials. Nanoporous adsorbent materials such as carbon nanotubes, activated carbons, zeolites, metal hydrides and metal organic frameworks (MOFs) and the more recent and lighter (than MOF) covalent organic frameworks (COFs) have been tested as potential candidates for methane storage. We aim to study transition metal nanoparticle clusters and carbon based receptors, which can meet the thermodynamic criterion for the spillover effect. Emphasis will be on reducing the barrier for motion of H from catalyst to receptor and increasing the stability of nanoparticles on the receptor. For methane storage we will assess existing nanomaterials with emphasis on carbons, metal organic and covalent organic frameworks, and propose novel functionalized nanomaterial architectures to enhance gas storage toward meeting desired targets. |