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基于镍基固溶体催化的氢化镁储氢性能
引用本文:张健,何柳,姚远,周小杰,蒋礼坤,彭平. 基于镍基固溶体催化的氢化镁储氢性能[J]. 中国有色金属学会会刊, 2022, 32(2): 604-617. DOI: 10.1016/S1003-6326(22)65819-9
作者姓名:张健  何柳  姚远  周小杰  蒋礼坤  彭平
摘    要:采用高能球磨制备Ni?25%X(X=Fe,Co,Cu,摩尔分数)固溶体,然后将其掺杂于MgH2体系中.与球磨纯MgH2相比,MgH2/Ni?25%X复合体系初始放氢温度降低近90℃,其中,Ni?25%Co固溶体呈最佳催化效果.球磨MgH2/Ni?25%Co复合体系在300℃、10 min内可释放5.19%(质量分数)氢...

关 键 词:MgH2  镍基固溶体  催化效果  储氢性能  第一性原理计算
收稿时间:2021-03-14

Hydrogen storage properties of magnesium hydride catalyzed by Ni-based solid solutions
Affiliation:1. Hunan Provincial Key Laboratory of Intelligent Manufacturing Technology for High-performance Mechanical Equipment, Changsha University of Science and Technology, Changsha 410114, China;2. Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, Changsha University of Science and Technology, Changsha 410114, China;3. College of Materials Science and Engineering, Hunan University, Changsha 410082, China
Abstract:The Ni–25%X (X=Fe, Co, Cu, molar fraction) solid solutions were prepared and then doped into MgH2 through high-energy ball milling. The initial dehydrogenation temperatures of MgH2/Ni–25%X composites are all decreased by about 90 °C relative to the as-milled pristine MgH2. The Ni–25%Co solid solution exhibits the most excellent catalytic effect, and the milled MgH2/Ni–25%Co composite can release 5.19 wt.% hydrogen within 10 min at 300 °C, while the as-milled pristine MgH2 can only release 1.78 wt.% hydrogen. More importantly, the dehydrogenated MgH2/Ni–25%Co composite can absorb 5.39 wt.% hydrogen at 275 °C within 3 min. The superior hydrogen sorption kinetics of MgH2/Ni–25%Co can be ascribed to the actual catalytic effect of in-situ formed Mg2Ni(Co) compounds. First-principles calculations show that the hydrogen absorption/desorption energy barriers of Mg/MgH2 systems decrease significantly after doping with transition metal atoms, which interprets well the improved hydrogen sorption properties of MgH2 catalyzed by Ni-based solid solutions.
Keywords:Ni-based solid solutions  catalytic effect  hydrogen storage properties  first-principles calculations
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