Transactions of the Indian National Academy of Engineering Pub Date : 2023-02-14 , DOI: 10.1007/s41403-023-00390-2
Abhishek Kumar , T. P. Yadav , M. A. Shaz , N. K. Mukhopadhyay
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In this present investigation, we discussed the synthesis, microstructure, and hydrogen storage behavior in C14 type high entropy intermetallic Laves phase in a hexanary Ti0.24V0.17Zr0.17Mn0.17Co0.17Fe0.08 high entropy alloy (HEA). In this HEA, three elements are hydride-forming elements (Ti, V, Zr), whereas other three are non-hydride-forming elements (Fe, Mn, Co). The thermodynamic parameter like enthalpy of mixing was calculated using the Miedma’s model. The mixing enthalpy (∆Hmix) of Ti0.24V0.17Zr0.17Mn0.17Co0.17Fe0.08 HEA system was evaluated to be − 23.3472 kJ/mole, and atomic radius mismatch turned out to be = 7.441%. This alloy was synthesized using 35 kW radio frequency induction furnace under argon atmosphere. X-ray diffraction technique (XRD) revealed that this system belongs to the C14 type Laves phase with unit cell parameters, a = b = 5.0158 Å, c = 8.1790 Å, α = β = 90˚, γ = 120˚ under space group: P63/mmc. Microstructural analysis was carried out with the help of a transmission electron microscope (TEM). The SEM–EDX data confirmed the elemental composition. Hydrogen absorption and desorption of this high entropy intermetallic were carried out using the PCI apparatus. The hydrogen storage of this system was observed around ~ 0.53 wt% within 15 s but the maximum storage capacity was evaluated to be about 0.72 wt% in 150 min. However, it exhibited better hydrogen ab/desorption kinetics. With the help of the Van’t Hoff plot, calculated experimental change in enthalpy of Ti0.24V0.17Zr0.17Co0.17Fe0.08Mn0.17 HEA for hydrogen absorption and desorption was found out to be ~ − 19.06 ± 1.12 kJ/mol and -34.10 ± 1.32 kJ /mol, respectively. The possibility of developing high entropy Laves phase-based hydrogen storage materials was advocated.
中文翻译:

C14型Ti0.24V0.17Zr0.17Mn0.17Co0.17Fe0.08高熵金属间化合物的储氢性能
在本研究中,我们讨论了六元 Ti 0.24 V 0.17 Zr 0.17 Mn 0.17 Co 0.17 Fe 0.08高熵合金 (HEA)中 C14 型高熵金属间化合物 Laves 相的合成、微观结构和储氢行为。在该 HEA 中,三种元素是氢化物形成元素(Ti、V、Zr),而其他三种元素是非氢化物形成元素(Fe、Mn、Co)。使用 Miedma 模型计算混合焓等热力学参数。Ti 0.24 V 0.17 Zr 0.17 Mn 0.17 Co 0.17 Fe的混合焓 (ΔH mix )0.08 HEA 系统被评估为 - 23.3472 kJ/mole,原子半径失配结果为 = 7.441%。该合金是在氩气气氛下使用 35 kW 射频感应炉合成的。X射线衍射技术(XRD)表明该体系属于C14型Laves相,晶胞参数a = b = 5.0158 Å, c = 8.1790 Å, α = β = 90˚, γ = 120˚,空间群: P6 3/mmc。微观结构分析是在透射电子显微镜 (TEM) 的帮助下进行的。SEM–EDX 数据证实了元素组成。这种高熵金属间化合物的氢吸收和脱附是使用 PCI 装置进行的。观察到该系统的储氢量在 15 秒内约为 0.53 wt%,但最大储氢容量在 150 分钟内估计约为 0.72 wt%。然而,它表现出更好的氢吸收/解吸动力学。借助 Van't Hoff 图,计算了 Ti 0.24 V 0.17 Zr 0.17 Co 0.17 Fe 0.08 Mn 0.17的实验焓变发现用于氢吸收和解吸的 HEA 分别为 ~ - 19.06 ± 1.12 kJ/mol 和 -34.10 ± 1.32 kJ /mol。提出了开发高熵 Laves 相基储氢材料的可能性。
