biostudies-literatureShi KShanghai Synchrotron Radiation FacilityNational Natural Science Foundation of ChinaCenter for High Pressure Science & Technology Advanced Researche2205133https://www.ebi.ac.uk/biostudies/studies/S-EPMC9896048biostudies-literatureUnknown10(4)Palladium hydrides (PdH_x ) have important applications in hydrogen storage, catalysis, and superconductivity. Because of the unique electron subshell structure of Pd, quenching PdH_x materials with more than 0.706 hydrogen stoichiometry remains challenging. Here, the 1:1 stoichiometric PdH ( F m 3 ¯ m ) $Fm\bar{3}m)$ is successfully synthesized using Pd nano icosahedrons as a starting material via high-pressure cold-forging at 0.2 GPa. The synthetic initial pressure is reduced by at least one order of magnitude relative to the bulk Pd precursors. Furthermore, PdH is quenched at ambient conditions after being laser heated ≈2000 K under ≈30 GPa. Corresponding ab initio calculations demonstrate that the high potential barrier of the facets (111) restricts hydrogen atomAdvanced science (Weinheim, Baden-Wurttemberg, Germany)Harvesting PdH Employing Pd Nano Icosahedrons via High Pressure.PMC989604822131006YLR-100-AC-Y111177412421725304BL15U112122405Huo ZLiang TSui YShu HDuan DZou BLiu CShi KWang LfalseHarvesting PdH Employing Pd Nano Icosahedrons via High Pressure.Palladium hydrides (PdH_x ) have important applications in hydrogen storage, catalysis, and superconductivity. Because of the unique electron subshell structure of Pd, quenching PdH_x materials with more than 0.706 hydrogen stoichiometry remains challenging. Here, the 1:1 stoichiometric PdH ( F m 3 ¯ m ) $Fm\bar{3}m)$ is successfully synthesized using Pd nano icosahedrons as a starting material via high-pressure cold-forging at 0.2 GPa. The synthetic initial pressure is reduced by at least one order of magnitude relative to the bulk Pd precursors. Furthermore, PdH is quenched at ambient conditions after being laser heated ≈2000 K under ≈30 GPa. Corresponding ab initio calculations demonstrate that the high potential barrier of the facets (111) restricts hydrogen atom2023-01-01T00:00:00Z2023 Feb2026-03-15T16:08:27.439Z2025-04-05T17:08:20.157ZS-EPMC98960483637373210.1002/advs.202205133