English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We perform an extensive combinatorial search for optimal nanostructuredhydrogen storage materials among various metal-decorated polymers usingfirst-principles density-functional calculations. We take into account thezero-point vibration as well as the pressure- and temperature-dependentadsorption-desorption probability of hydrogen molecules. An optimal material weidentify is Ti-decorated cis-polyacetylene with reversibly usable gravimetricand volumetric density of 7.6 weight percent and 63 kg/m^3 respectively nearambient conditions. We also propose ``thermodynamically usable hydrogencapacity" as a criterion for comparing different storage materials.Comment: 4 pages, 3 figure

Combinatorial Search for Optimal Hydrogen-Storage Nanomaterials Based on Polymers