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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

We demonstrate in this paper that high pressure can promote the reactionsbetween the ionic compounds and H2 molecules and form thermodynamically stablehybrid compounds. Using crystal structure search method based on firstprinciples calculations and particle swarm optimization algorithm, we show thatmany alkali halides XY (X=Na, K, Rb, Cs; Y=Cl, Br, I) can form stable hybridcompounds with various H2 compositions under different pressures that could beas low as 0.8 GPa (KIH2). Especially, the commonly known table salt, NaCl, canform stable NaClH2 and NaCl(H2)4 hybrid compounds under pressures of 19.7 and37.9 GPa, respectively. Our results demonstrate that pressure can promote theformation of solid-molecule hybrid compounds, which reveals a new unique way ofdiscovering novel materials that can combine the advantages of inorganiccompounds and small molecules. A direct application of our work is the proof ofturning the common table salt and other similar ionic compounds into hydrogenstorage materials under moderate pressures.

High-pressure hybrid materials that can store hydrogen in table salt