Effects of alloying substitutions on the anti-disproportionation behavior of ZrCo alloy
文献类型：期刊论文
| 作者 | Yang, G; Liu, WG; Han, XB; Han, H; Qian, Y; Zeng, YS; Wu, XL; Qiu, J; Yin, HQ; Liu, W |
| 刊名 | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
 |
| 出版日期 | 2017 |
| 卷号 | 42期号:24页码:15782-15789 |
| 关键词 | Hydrogen-induced Disproportionation Zirconium-cobalt Storage Properties Tritium Storage Intermetallic Compound Thermal-stability System Ni 1st-principles Mechanism |
| ISSN号 | 0360-3199 |
| DOI | 10.1016/j.ijhydene.2017.05.054 |
| 文献子类 | 期刊论文 |
| 英文摘要 | We perform first-principles calculations to investigate the effects of alloying substitutions (i.e. Ti, Hf, Sc, Fe, Ni and Cu) on hydrogen-induced disproportionation of ZrCo alloy. H at the 8e site of ZrCoH3 (H(8e)) plays the key role in the disproportionation process. It is found that H(8e) prefers to form strong covalent-like binding with the neighboring Co and its substitute elements, which is distinctly different from H at the 4c(2) and 8f(1) sites. Alloying substitutions can restrain or accelerate the disproportionation by influencing the Zr-H(8e) bond length and the size of the 8e site. Judged from this, the anti-disproportionation ability of these alloying substitutions is identified. Our results of Ti, Hf, Sc, Fe and Ni are in good agreement with the previous experimental results. It is also predicated that Cu can accelerate hydrogen-induced disproportionation of ZrCo alloy. (C) 2017 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. |
| WOS关键词 | HYDROGEN-INDUCED DISPROPORTIONATION ; ZIRCONIUM-COBALT ; STORAGE PROPERTIES ; TRITIUM STORAGE ; INTERMETALLIC COMPOUND ; THERMAL-STABILITY ; SYSTEM ; NI ; 1ST-PRINCIPLES ; MECHANISM |
| 语种 | 英语 |
| WOS记录号 | WOS:000405043000010 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28631]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Yang, G,Liu, WG,Han, XB,et al. Effects of alloying substitutions on the anti-disproportionation behavior of ZrCo alloy[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2017,42(24):15782-15789. |
| APA | Yang, G.,Liu, WG.,Han, XB.,Han, H.,Qian, Y.,...&Li, Y.(2017).Effects of alloying substitutions on the anti-disproportionation behavior of ZrCo alloy.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,42(24),15782-15789. |
| MLA | Yang, G,et al."Effects of alloying substitutions on the anti-disproportionation behavior of ZrCo alloy".INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 42.24(2017):15782-15789. |
入库方式： OAI收割
来源：上海应用物理研究所
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