Effects of Cu doping on the hydrogen storage performance of Ti-Mn-based, AB2-type alloys

氢气储存 兴奋剂 材料科学 Laves相 解吸 冶金 吸附低温 化学工程 合金 分析化学(期刊) 化学 金属间化合物 热力学 吸附 物理化学 光电子学 有机化学 工程类 物理
作者
Wenfeng Qiao,Dongming Yin,Shaolei Zhao,Nan Ding,Long Liang,Chunli Wang,Limin Wang,Miao He,Yong Cheng
出处
期刊:Chemical Engineering Journal [Elsevier BV]
卷期号:465: 142837-142837 被引量:62
标识
DOI:10.1016/j.cej.2023.142837
摘要

The Ti-Mn-based AB2-type hydrogen storage alloy has been widely researched and applied because of their higher hydrogen storage capacity, appropriate service temperature and low cost. However, before this hydrogen storage material becomes a mature technology, the essential issues of activation difficulty and high plateau pressure in hydrogen absorption/desorption process, need to be completely reformed by radical transformation in composition design and structure optimization. This work investigates the microstructure and hydrogen storage performances of Ti0.8Zr0.2Mn0.92Cr0.87Fe0.21 + x Cu (x = 0, 3, 5 and 8 wt%) by vacuum arc melting. Profiting from the excellent hydrogen transfer rate and structure optimization, the Ti0.8Zr0.2Mn0.92Cr0.87Fe0.21 alloys with the increasing of Cu doping result in the unique C14 Laves phase with the increased lattice volume. As a beneficial result, the decrease of the hydrogen absorption platform of Ti0.8Zr0.2Mn0.92Cr0.87Fe0.21 + 8 wt% Cu alloy is accompanied by the increase of the hydrogen desorption platform, thereby reducing the overall hysteresis coefficient of the material. Through Van't Hoff thermodynamic calculation results, it is found that the absolute values of hydrogenation enthalpy and entropy increase with the increasing of Cu doping. It is crucial to doping Cu inside the alloy by the accurate control of stoichiometric proportion and Cu content, which can improve the hydrogen storage performance of the alloy through theoretical analysis and First-principles simulation. This attempt enables new insights into the optimization of the hydrogen storage properties of Ti-Mn-based AB2-type hydrogen storage alloy, which can be generalized to the design of other new hydrogen storage materials.
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