<br>利用 Pd 纳米二十面体通过高压收获 PdH,Advanced Science

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利用 Pd 纳米二十面体通过高压收获 PdH
Advanced Science ( IF 14.3 ) Pub Date : 2022-11-14 , DOI: 10.1002/advs.202205133
Kun Shi ₁ , Zihao Huo ₁ , Tianxiao Liang ₁ , Yongming Sui ₁ , Chuang Liu ₂ , Haiyun Shu ₃ , Lin Wang ₄ , Defang Duan ₁ , Bo Zou ₁

Affiliation

氢化钯（PdH _x ）在储氢、催化和超导方面具有重要应用。由于 Pd 独特的电子亚壳结构，淬灭氢化学计量超过 0.706 的 PdH _x材料仍然具有挑战性。此处，1:1 化学计量 PdH (

Fm\bar{3}m)

以Pd纳米二十面体为起始材料，通过0.2 GPa高压冷锻成功合成。相对于本体 Pd 前驱体，合成初始压力降低了至少一个数量级。此外，PdH 在约 30 GPa 下激光加热约 2000 K 后在环境条件下淬火。相应的从头计算表明，面(111)的高势垒限制了氢原子的扩散，防止氢原子结合生成H ₂ 。这项研究为金属氢化物的高压合成铺平了道路，具有广阔的潜在应用前景。

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Harvesting 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 \bar{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 atoms' diffusion, preventing hydrogen atoms from combining to generate H₂. This study paves the way for the high-pressure synthesis of metal hydrides with promising potential applications.

更新日期：2022-11-14

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