Journal article
Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
Chemistry of materials, Vol.29(7), pp.2844-2854
11/04/2017
PMCID: PMC5390509
PMID: 28413259
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Source: InCites
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 cryogenic temperatures pore sizes of 10 Å and void fractions of 0.5 are optimal. Our top candidates are found to be commercially attractive as "cryo-adsorbents", with promising storage capacities at 77 K and 100 bar with 30% enhancement to 40 g/L, a promising alternative to liquefaction at 20 K and compression at 700 bar.
Details
- Title
- Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage
- Creators
- Aaron W Thornton - Commonwealth Scientific and Industrial Research OrganisationCory M Simon - University of California, BerkeleyJihan Kim - Korea Advanced Institute of Science and TechnologyOhmin Kwon - Wrexham UniversityKathryn S Deeg - University of California, BerkeleyKristina Konstas - Commonwealth Scientific and Industrial Research OrganisationSteven J Pas - Department of DefenceMatthew R Hill - Monash UniversityDavid A Winkler - Commonwealth Scientific and Industrial Research OrganisationMaciej Haranczyk - Lawrence Berkeley National LaboratoryBerend Smit - University of California, Berkeley
- Publication Details
- Chemistry of materials, Vol.29(7), pp.2844-2854
- Publisher
- American Chemical Society
- Identifiers
- 991013101308902368
- Copyright
- © 2017 American Chemical Society. This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
- Academic Unit
- Faculty of Science and Engineering; Science
- Language
- English
- Resource Type
- Journal article