Distortion and Destabilization of Mg Hydride Facing High Entropy Alloy Matrix

IF 5.4 3区 材料科学 Q2 CHEMISTRY, PHYSICAL
Kohta Asano*, Lars J. Bannenberg, Herman Schreuders, Hirotada Hashimoto, Shigehito Isobe, Yuki Nakahira, Akihiko Machida, Hyunjeong Kim and Kouji Sakaki, 
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Abstract

The thermal stability of an equilibrium phase may be tuned due to lattice strain and distortion induced by nanosizing. We apply these effects to destabilize magnesium hydride, a promising hydrogen storage material owing to its high gravimetric hydrogen density but with a too high operating temperature/low supply pressure of hydrogen for most practical applications. The destabilization is attempted with MgH2 in contact with high entropy alloy (HEA), in which multiple metal atoms lead to lattice strain and distortion. Here, two HEAs, CrMnFeCoNi with a face centered cubic (fcc) structure and TiVZrNbHf with a body centered cubic (bcc) structure, were prepared. Subsequently, they were cosputtered with Mg to synthesize Mg–HEA thin films, respectively. Although, in the Mg–CrMnFeCoNi thin films, miscible metals with Mg as Co and Ni may hamper the formation of independent Mg domains, a small proportion of Mg atoms form destabilized MgH2. In contrast, Mg and TiVZrNbHf domains are chemically segregated at the nanoscale in the Mg–TiVZrNbHf thin films. The formation of nanometer-sized Mg domains is promoted by atomic rearrangement following the structural change of TiVZrNbHf from a bcc to an fcc structure upon hydrogenation, resulting in distorted and destabilized MgH2. Our strategy to use HEAs and the structural change upon hydrogenation for the formation of destabilized MgH2 is effective and opens up the possibility for the development of advanced and low-cost hydrogen storage and supply systems.

Abstract Image

氢化镁面对高熵合金基体的变形与失稳
由于纳米尺寸引起的晶格应变和变形,平衡相的热稳定性可能会被调整。我们将这些效应应用于氢氧化镁的失稳,氢氧化镁是一种很有前途的储氢材料,因为它的氢密度很高,但对大多数实际应用来说,氢的工作温度太高/供应压力太低。MgH2与高熵合金(HEA)接触时,多金属原子导致晶格应变和畸变。本文制备了两种HEAs:面心立方(fcc)结构的CrMnFeCoNi和体心立方(bcc)结构的TiVZrNbHf。随后,将它们分别与Mg进行溅射制备Mg - hea薄膜。尽管在Mg - crmnnfeconi薄膜中,Co和Ni等与Mg相混溶的金属可能会阻碍独立Mg畴的形成,但仍有一小部分Mg原子形成不稳定的MgH2。在Mg - TiVZrNbHf薄膜中,Mg和TiVZrNbHf结构域在纳米尺度上是化学分离的。在氢化作用下,TiVZrNbHf从bcc结构转变为fcc结构,原子重排促进了纳米Mg结构域的形成,导致MgH2扭曲和不稳定。我们利用HEAs和氢化时的结构变化来形成不稳定的MgH2的策略是有效的,并为开发先进和低成本的氢储存和供应系统开辟了可能性。
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来源期刊
ACS Applied Energy Materials
ACS Applied Energy Materials Materials Science-Materials Chemistry
CiteScore
10.30
自引率
6.20%
发文量
1368
期刊介绍: ACS Applied Energy Materials is an interdisciplinary journal publishing original research covering all aspects of materials, engineering, chemistry, physics and biology relevant to energy conversion and storage. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials, engineering, physics, bioscience, and chemistry into important energy applications.
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