Features of Hydrogen Interaction in the Pd-Based Alloys with 3d Transition Metals
文献类型：期刊论文
| 作者 | R. F. Minibaev ; D. I. Bazhanov ; A. A. Katsnel'son ; S. E. Kul'kova ; D. S. Xu ; Q. M. Hu ; Y. L. Hao |
| 刊名 | Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques
 |
| 出版日期 | 2007 |
| 卷号 | 1期号:6页码:754-758 |
| ISSN号 | 1027-4510 |
| 中文摘要 | The effect of an alloying metal and its magnetic state on the hydrogen absorption energy has been investigated in the Pd-based alloys Pd(3)Me with 3d transition metals (Me = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) using calculations from first principles. The full-potential and linearly augmented plane wave (FP LAPW) method has been used in the local density approximation (LDA) for the exchange-correlation potential in the framework of the density functional theory (DFT). It has been found that the hydrogen solubility in an alloy increases if the centers of mass of s and d metal bands and s hydrogen band shift strongly toward the Fermi level. The changes in properties of hydrogen absorption as a function of its position in a crystal lattice structure and magnetic state of an alloy have been analyzed. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/33762]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | R. F. Minibaev,D. I. Bazhanov,A. A. Katsnel'son,et al. Features of Hydrogen Interaction in the Pd-Based Alloys with 3d Transition Metals[J]. Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques,2007,1(6):754-758. |
| APA | R. F. Minibaev.,D. I. Bazhanov.,A. A. Katsnel'son.,S. E. Kul'kova.,D. S. Xu.,...&Y. L. Hao.(2007).Features of Hydrogen Interaction in the Pd-Based Alloys with 3d Transition Metals.Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques,1(6),754-758. |
| MLA | R. F. Minibaev,et al."Features of Hydrogen Interaction in the Pd-Based Alloys with 3d Transition Metals".Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques 1.6(2007):754-758. |
入库方式： OAI收割
来源：金属研究所
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