Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage.

ABSTRACT: The Materials Genome is in action: the molecular codes for millions of materials have been sequenced, predictive models have been developed, and now the challenge of hydrogen storage is targeted. Renewably generated hydrogen is an attractive transportation fuel with zero carbon emissions, but its storage remains a significant challenge. Nanoporous adsorbents have shown promising physical adsorption of hydrogen approaching targeted capacities, but the scope of studies has remained limited. Here the Nanoporous Materials Genome, containing over 850 000 materials, is analyzed with a variety of computational tools to explore the limits of hydrogen storage. Optimal features that maximize net capacity at room temperature include pore sizes of around 6 Å and void fractions of 0.1, while at cryogen

SUBMITTER: Thornton AW 

PROVIDER: S-EPMC5390509 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature