On structural model of AB5-type multi-element hydrogen storage alloy |
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| Affiliation: | 1. Key Lab of Ship-Machinery Maintenance & Manufacture, Dalian Maritime University, Dalian 116026, China;2. School of Chemistry and Chemical Engineering, Inner Mongolia University of Science & Technology, Baotou 014010, China;1. Key Laboratory of Integrated Exploitation of Bayan-Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010, China;2. Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081, China;1. Department of Mechanical and Mechatronics Engineering, Waterloo Institute for Nanotechnology (WIN), Waterloo Institute for Sustainable Energy (WISE), University of Waterloo, Waterloo, Ontario N2L 3G1, Canada;2. Faculty of Advanced Technology and Chemistry, Military University of Technology, 2 Kaliskiego Str., 00-908 Warsaw, Poland;3. CanmetENERGY, Natural Resources Canada, 1 Haanel Dr., Ottawa, Ontario K1A 1M1, Canada;1. Research Institute for Energy Equipment Materials, School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China;2. Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081, China;1. Department of Functional Material Research, Central Iron and Steel Research Institute, Beijing 100081, China;2. Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China;3. Key Laboratory of Integrated Exploitation of Baiyun Obo Multi-Metal Resources, Inner Mongolia University of Science and Technology, Baotou 014010, China;1. Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Katahira 2-1-1, Aoba-ku, Sendai, 980-8577, Japan;2. Department of Materials Processing, Graduate School of Engineering, Tohoku University, Aoba-yama 6-6-02, Aoba-ku, Sendai, 980-8579, Japan;3. Frontier Research Institute for Interdisciplinary Science, Tohoku University, Aramaki Aza Aoba 6-3, Aoba-ku, Sendai, 980-8578, Japan;4. National Institute for Materials Science, Sengen 1-2-1, Tsukuba, 305-0047, Japan |
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| Abstract: | The present study is focused on the development of a structural model for multi?element AB5?type alloy which can correlate the hydrogenation characteristics with structural parameters. At present no such model is available, which can predict the trend of hydrogenation properties like hydrogen storage capacity, heat of formation and plateau pressure of multi?element hydrogen storage material. It is done by trial and error method. In present investigation efforts are made to correlate atomic radius of substituted elements with heat of formation of hydride, plateau pressure and hydrogen storage capacity by calculating equivalent radius of B (rB*) in multi?element composition, contraction in A?B bond, radius of voids and ratio of rA with rB*. The heat of formation decreases and hydride stability increases with increasing value of rB* and contraction in A?B bond. While hydrogen storage capacity decreases with increasing value of rB* and contraction in A?B bond. Based on this, correlation between thermodynamic and structural properties has been established and structural model has been developed. |
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| Keywords: | Hydrogen storage alloy multi?element Structural model Equivalent radius |
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