Interaction between hydrogen and the alloying atom in palladium

IMR OpenIR

	Interaction between hydrogen and the alloying atom in palladium
	Y. J. Li; S. E. Kulkova; Q. M. Hu; D. I. Bazhanov; D. S. Xu; Y. L. Hao; R. Yang
	2007
发表期刊	Physical Review B
ISSN	1098-0121
卷号	76 期号:6
摘要	The interaction energies between interstitial hydrogen and 3d- as well as 4d-alloying atoms in Pd were calculated by the use of a first-principles plane-wave pesudopotential method. The calculation results show that almost all the considered alloying atoms are repulsive to hydrogen. For the interaction between H and a noble metal alloying atom that binds weakly to the host atom relative to the host atom itself, the traditional elastic model, proposed in the literature to address the interaction between the substitutional and interstitial atoms in metals, works well. However, for the transition metal atom which binds strongly to the host atom, the interaction energy cannot be explained by the traditional chemical/elastic models. We considered that this failure is due to the absence of binding between the alloying and host atoms. We proposed that, for these transition metal alloying atoms, the interaction energy is controlled by a mechanism similar to Miedema's "reverse stability" rule, i.e., the larger the binding energy of the alloys, the stronger the repulsion between the alloying atom and H. The calculated interaction energies were compared to the available experimental information.
部门归属	chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china. shenyang pharmaceut univ, shenyang 110006, peoples r china. russian acad sci, siberian branch, inst strength phys & mat sci, tomsk 634021, russia. moscow mv lomonosov state univ, fac phys, moscow 119992, russia.;hu, qm (reprint author), chinese acad sci, met res inst, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china
关键词	Solid-solutions Vanadium Diffusivity Niobium Metal
URL	查看原文
WOS记录号	WOS:000249155200025
引用统计	被引频次：23[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/33663
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. J. Li,S. E. Kulkova,Q. M. Hu,et al. Interaction between hydrogen and the alloying atom in palladium[J]. Physical Review B,2007,76(6).
APA	Y. J. Li.,S. E. Kulkova.,Q. M. Hu.,D. I. Bazhanov.,D. S. Xu.,...&R. Yang.(2007).Interaction between hydrogen and the alloying atom in palladium.Physical Review B,76(6).
MLA	Y. J. Li,et al."Interaction between hydrogen and the alloying atom in palladium".Physical Review B 76.6(2007).