Theoretical investigation of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy
文献类型：期刊论文
| 作者 | Yang, G; Liu, WG; Wu, SW; Wu, XJ; Qian, N; Cheng, HW; Gao, J; Zeng, YS; Liu, W; Li, Y |
| 刊名 | MATERIALS RESEARCH EXPRESS
 |
| 出版日期 | 2018 |
| 卷号 | 5期号:10页码:- |
| 关键词 | HYDROGEN-INDUCED DISPROPORTIONATION STORAGE PROPERTIES TRITIUM STORAGE ZIRCONIUM COBALT INTERMETALLIC COMPOUND SITE OCCUPANCY SYSTEM 1ST-PRINCIPLES SUBSTITUTION DESORPTION |
| ISSN号 | 2053-1591 |
| DOI | 10.1088/2053-1591/aad9de |
| 文献子类 | 期刊论文 |
| 英文摘要 | First-principles calculations are utilized to investigate the effect of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy. In Ti and Ni co-doped ZrCoH3, the Ti-H(8e) bond shows a strong ionic feature and the Ni-H(8e) bond exhibits covalent bonding characteristic. Judged by the Zr-H(8e) bond length, the size of the 8e site and H diffusion barrier out of the 8e site in ZrCoH3, it can be concluded that the Ti + Ni co-doping can impair the anti-disproportionation ability of Ti doping in ZrCo alloy, which uncovers the mechanism of the negative effect of Ni on the Ti-doped ZrCo alloy found in the previous experimental results. |
| 语种 | 英语 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/31147]  |
| 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 |
| 作者单位 | 1.ShanghaiTech Univ, Shanghai 201210, Peoples R China 2.Bengbu Univ, Bengbu 233030, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 5.Univ South China, Hengyang 421001, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, G,Liu, WG,Wu, SW,et al. Theoretical investigation of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy[J]. MATERIALS RESEARCH EXPRESS,2018,5(10):-. |
| APA | Yang, G.,Liu, WG.,Wu, SW.,Wu, XJ.,Qian, N.,...&Li, Y.(2018).Theoretical investigation of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy.MATERIALS RESEARCH EXPRESS,5(10),-. |
| MLA | Yang, G,et al."Theoretical investigation of Ti and Ni co-doping on the anti-disproportionation ability of ZrCo alloy".MATERIALS RESEARCH EXPRESS 5.10(2018):-. |
入库方式： OAI收割
来源：上海应用物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。