Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study
文献类型：期刊论文
| 作者 | Liu, ZY; Xiong, LY; Li, J; Liu, S; Er, S2,3 |
| 刊名 | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
 |
| 出版日期 | 2018-11-15 |
| 卷号 | 43期号:46页码:21441-21450 |
| ISSN号 | 0360-3199 |
| 关键词 | Vanadium hydrides Desorption plateau pressure Metal hydrides Hardness Density functional theory |
| DOI | 10.1016/j.ijhydene.2018.09.204 |
| 英文摘要 | Vanadium-based alloys are promising for the reversible and compact storage of renewable hydrogen. To improve the hydrogen desorption plateau pressure of vanadium hydrides, V-3A binary alloys of V97Al3, V97Mn3, and V97Ru3 were prepared by vacuum arc melting. Hydrogen absorption and desorption properties of the newly prepared V-3A alloys were studied, and compared to vanadium hydrides, by pressure-composition temperature measurements and first-principles calculations. Among the studied materials, V-3Ru showed the highest hydrogen desorption plateau pressures between T = 373 and 433 K. During hydrogen loading, V-3Ru also reached the highest hydrogen to metal ratio between the alloys. Meanwhile, V-3Ru was also the alloy with the highest hardness. Findings of hydrogen absorption and desorption measurements were supported with DFT calculations of hydride formation energies. The calculated DOS, ELF and atomic charges were used to study the effects of alloying on the electronic properties of hydrides. The bonding interactions in vanadium dihydrides were influenced the most through Al alloying, whereas V-3Mn and V-3Ru hydrides showed comparable electronic properties. (C) 2018 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. |
| 学科主题 | Chemistry, Physical ; Electrochemistry ; Energy & Fuels |
| 语种 | 英语 |
| WOS记录号 | WOS:000450377300023 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/79818]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 1.Chinese Acad Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China 3.DIFFER Dutch Inst Fundamental Energy Res, Zaale 20, NL-5612 AJ Eindhoven, Netherlands 4.DIFFER Dutch Inst Fundamental Energy Res, Ctr Computat Energy Res, Zaale 20, NL-5612 AJ Eindhoven, Netherlands |
| 推荐引用方式 GB/T 7714 | Liu, ZY,Xiong, LY,Li, J,et al. Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2018,43(46):21441-21450. |
| APA | Liu, ZY,Xiong, LY,Li, J,Liu, S,&Er, S.(2018).Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,43(46),21441-21450. |
| MLA | Liu, ZY,et al."Effects of alloying elements (Al, Mn, Ru) on desorption plateau pressures of vanadium hydrides: An experimental and first-principles study".INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 43.46(2018):21441-21450. |
入库方式： OAI收割
来源：金属研究所
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