Zirconium hydride-stabilized yttrium hydride (ZSY): Stabilization of a face-centered cubic YH3 phase by Zr substitution
Zirconium hydride-stabilized yttrium hydride (ZSY): Stabilization of a face-centered cubic YH3 phase by Zr substitution
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氢化锆稳定的氢化钇 (ZSY)：通过 Zr 取代稳定面心立方 YH3 相
DOI：
10.1016/j.jallcom.2020.156071
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发表时间：
2021
影响因子：
6.2
通讯作者：
Kamegawa Atsunori
中科院分区：
文献类型：
--
作者：
Kataoka Riki;Nozaki Masashi;Kimura Toru;Sakaki Kouji;Kojima Toshikatsu;Ikeda Kazutaka;Otomo Toshiya;Takeichi Nobuhiko;Kamegawa Atsunori
YH 3中的钇在球磨过程中被锆取代，得到FCC-YH 3，一种氢化锆稳定的YH 3（ZrO_2Y）结构。仅在大于7.8GPa的压力下稳定的FCC-YH 3先前已报道在环境压力下通过碱金属或碱土金属取代而稳定，但仅在有限的组成范围内。与此相反，我们证明了Y和Zr的固溶度在一个宽的组成范围内，与Y/Zr的摩尔比在4和0.333之间，证实了在晶格常数的变化的ZrO 2 Y与各种量的Zr。通过Zr置换，Y2 O3的颜色从黄色（透明）变为黑色。紫外-可见光谱表明，Zr取代使YH 3的禁带宽度变窄。在摩尔分数为33mol%时，Zr取代的Al 2 O3 Y在脱氢和再加氢环化过程中保持其FCC结构，体积变化（Δ V）为1%，伴随的H2排放量为0.5wt%。这种体积变化明显低于传统的贮氢合金如LaNi 5和Mg-La-Ni合金，即当它们解吸相同量的氢时，Δ V约为10 - 20%。
Yttrium in YH 3 was shown to be substituted by zirconium in a ball milling process, yielding FCC-YH 3, a zirconium-hydride-stabilized YH 3 (ZSY) structure. FCC-YH 3, which is stable only under the pressure greater than 7.8 GPa, has previously been reported to be stabilized at ambient pressure by alkaline or alkaline earth metal substitution, but only in a limited compositional range. In contrast, we demonstrated solid solubility of Y and Zr in ZSY in a wide compositional range, with a Y/Zr molar ratio between 4 and 0.333, as confirmed by changes in the lattice constants of ZSY with various amounts of Zr. A color of ZSY changed from yellowish (transparent) to black by Zr substitution. The UV–vis spectroscopy revealed that Zr substitution narrowed the bandgap of YH 3. At a molar fraction of 33 mol%, Zr-substituted ZSY was shown to maintain its FCC structure during dehydrogenation and rehydrogenation cyclirng, and its volume change (Δ V) was estimated to be 1%, with an accompanying H 2 emission of 0.5 wt%. This volume change was significantly lower than that of conventional hydrogen storage alloys such as LaNi 5 and Mg–La–Ni alloys, ie, Δ V is about 10∼ 20% when they desorb same amount of hydrogen.