Li Yuxing, Hou Hua, Zhao Yuhong, et al. Effects of Ti Alloying on the Mg2Ni Hydrogen Storage Alloy[J]. Special Casting & Nonferrous Alloys, 2016,36(4):341-345.
Li Yuxing, Hou Hua, Zhao Yuhong, et al. Effects of Ti Alloying on the Mg2Ni Hydrogen Storage Alloy[J]. Special Casting & Nonferrous Alloys, 2016,36(4):341-345. DOI: 10.15980/j.tzzz.2016.04.002.
钛合金化对Mg2Ni储氢性能的影响
摘要
采用第一性原理方法研究了钛合金化对Mg
2
Ni及其氢化物储氢性能的影响。计算结果表明
在掺杂浓度为0
0
.5的范围内
Ti优先占据Mg(6i)位
六方结构的固溶体合金Mg
(2-x)
TixNi极易分解为立方结构的Mg3TiNi2和六方结构的Mg
2
Ni组成的复合相。Ti的掺杂削弱了H原子和Ni原子间的相互作用
降低了其合金体系的吸氢反应焓
提高了Mg2Ni氢化物的解氢能力。
Abstract
The effects of Ti alloying on Mg
2
Ni hydrogen storage alloy and corresponding hydrides were investigaged.The results indicate that Ti preferentially occupy the Mg(6i)site as the doping concentration in the range from 0to 0.5.The solid solution alloys Mg
2x
Ti
x
Ni with the hexagonal structure is easily decomposed into the complex phase with bcc structure Mg
3
TiNi
2
and hexagonal structure Mg
2
Ni.The Ti-doping can weaken the interaction between H and Ni atoms and reduce the enthalpy of hydrogen absorbing of the alloy system.Therefore