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The splintered fluorine atoms, the researchers report, are safely sequestered by reacting them with potassium hydride in solution to form potassium fluoride, a nontoxic ingredient in toothpaste.

"Molecular metal hydrides can be reactive and have low stability," Rohde said.

This breakthrough not only propels magnesium hydride closer to the US-DOE targets but also sets the stage for broader applications in other metal hydrides.

Even though perovskite hydrides represent a unique platform for applied materials science, characterizing their physical properties has proven challenging.

Then, the researchers did detailed simulations of specific cases, such as the use of a lithium hydride nanocrystal, a material being studied as a possible storage medium for hydrogen.