摘要
基于储氢材料在氢能利用中的重要作用,通过从材料结构角度,对当前晶态储氢合金、非晶储氢合金、纳米储氢合金三大类金属储氢材料的研究现状和存在问题进行总结和分析,探讨了合金相图和现代材料设计方法在金属储氢材料研究中的作用和地位。当前研究工作表明,非平衡态结构调控是获得高性能储氢合金的有效途径。基于原子尺度的材料计算与设计,对新型金属储氢合金的研究和储氢机理探讨具有重要作用。
Hydrogen storage materials paly important roles in the application of hydrogen energy.In view of microstructure,recent development of three type metal-based materials（crystalline,amorphous alloy,nano-sized alloy） was discussed extensively in the paper,as well as related study of phase diagram and material design methods based on first-principle calculations.many reports supported that metal-based alloys with amorphous/ nano structure show different hydrogen storage properties from that with crystal structure,material design and calculation in atom-size will benefit the development of new metal-based alloys and the understanding of the mechanism of hydrogen storage in alloys.
出处
《桂林电子科技大学学报》
2010年第5期363-373,共11页
Journal of Guilin University of Electronic Technology
基金
国家自然科学基金(50971049
50961004)
关键词
储氢合金
非晶态
合金相图
材料设计
第一性原理
hydrogen storage alloy
amorphous structure
phase diagram
material design
first-principle calculations
