理论模型在贮氢合金研究与发展中的应用

稀有金属材料与工程, 2007, 36(11): 1881-1885.

理论模型在贮氢合金研究与发展中的应用

董小平 ^1, , 吕反修 ^2, , 张羊换 ^3, , 全白云 ^4, , 王新林 ^5,

1.北京科技大学,北京,100083;钢铁研究总院,北京,100081

2.北京科技大学,北京,100083

3.钢铁研究总院,北京,100081;内蒙古科技大学,内蒙古,包头,014010

4.钢铁研究总院,北京,100081

5.钢铁研究总院,北京,100081

基金项目: College Scientific Research Project of Inner Mongolia(NJ05064) Key Technologies R & D Program of Inner Mongolia(20050205) 国家自然科学基金(50642033)

关键词：贮氢合金 , 电子结构 , 热力学 , 电极反应 , 模型

Application of Theoretical Model in Research and Development of Hydrogen Storage Alloy

Dong Xiaoping ^1, , Lü Fanxiu ^2, , Zhang Yanghuan ^3, , Quan Baiyun ^4, , Wang Xinlin ^5,

1.北京科技大学,北京,100083;钢铁研究总院,北京,100081

2.北京科技大学,北京,100083

3.钢铁研究总院,北京,100081;内蒙古科技大学,内蒙古,包头,014010

4.钢铁研究总院,北京,100081

5.钢铁研究总院,北京,100081

Keywords： hydrogen storage alloy , electronic structure , thermodynamics , electrode reaction , model

主要论述贮氢合金理论模型研究进展.内容主要涉及贮氢合金的电子结构与氢化物稳定性之间的关系,合金材料的热力学研究,合金电极反应等方面.充分有效利用贮氢合金理论模型,将会大大加快贮氢合金的研究与产业化发展的步伐.

The research of theoretical model in hydrogen storage alloy was presented in this paper. The relations between electronic structure and stability of the hydride, thermodynamic investigation and electrode reaction mechanism were summarized in detail. Applying the theoretical models effectively in the research of hydrogen storage alloys will greatly accelerate the progress of research and industrialization in this area.

参考文献

[1]	Yukawa H;Morinaga M;Takahashi Y .Electronic structures of hydrogen storage compound, TiFe[J].Computational Materials Science,1999(1/4):291-294.
[2]	陈宁 et al.[J].科学通报,1995,40(24):2234.
[3]	马丽,陈宁,林勤,赵爽,叶文,李阳,刘森英.NdNi4M贮氢性能和电子结构关系研究[J].中国稀土学报,2000(01):41-44.
[4]	Yukawa H et al.[J].Journal of Alloys and Compounds,1997,253-254:322.
[5]	Yukawa H et al.[J].Journal of Alloys and Compounds,1999,293-294:227.
[6]	Guo J.;Wei WL.;Ma SY.;Gao YJ. .An investigation of correlation between electronic structure of LaNi4M (M=Ni, Cu, Mn, Al) and hydrogen absorption properties[J].Materials Science & Engineering, B. Solid-State Materials for Advanced Technology,2003(1):21-24.
[7]	郭进,韦文楼,马树元,高英俊,方志杰.LaNi5电子结构与成键特征[J].金属学报,2003(01):10-12.
[8]	Lin Yufang,Zhao Dongliang,WANG Xinlin,ZHANG Yanghuan.Electronic Structure of Hydrogen Storage Compounds, LaNi5 and Its Micro-Hydrogenated Compounds[J].稀土学报（英文版）,2005(04):455-459.
[9]	Takahashi Y et al.[J].Journal of Alloys and Compounds,1996,242:98.
[10]	方志杰,梁业广,王德安,卓亚琦,郭进.Mg2Ni氢化物电子结构的研究[J].桂林工学院学报,2004(04):489-491.
[11]	Shoushi F et al.[J].Journal of Alloys and Compounds,1999,293-295:10.
[12]	Bouten P C P et al.[J].Journal of the Less-Common Metals,1980,71:147.
[13]	郑群,陈云贵,涂铭旌.Mg基贮氢合金放氢反应生成焓的数学模型[J].功能材料与器件学报,2005(01):109-111,74.
[14]	吴宝国,董元篪.贮氢合金放氢反应标准摩尔焓的数学模型[J].上海应用技术学院学报(自然科学版),2003(02):114-117.
[15]	罗永春,康龙,张昌青,陈剑虹.稀土系贮氢合金的生成焓计算[J].中国有色金属学报,2000(04):480.
[16]	赵爽 et al.[J].金属学报,1999,15(01):66.
[17]	肖纪美.合金能量学[M].上海:上海科学出版社,1985:7.
[18]	郝士明.镁的合金化与合金相图[J].材料与冶金学报,2002(03):166-170,202.
[19]	Malinova T et al.[J].Materials Science and Engineering A,2004,365:219.
[20]	Cui N et al.[J].Journal of Electroanalytical Chemistry,2001,503:92.
[21]	Yukawa H.;Morinaga M.;Nakatsuka K. .Design of hydrogen storage alloys in view of chemical bond between atoms[J].Solar Energy Materials and Solar Cells: An International Journal Devoted to Photovoltaic, Photothermal, and Photochemical Solar Energy Conversion,2000(1/2):75-80.
[22]	Yukawa H et al.[J].Bulletin of Materials Science,1999,22(05):885.
[23]	朱光明,雷永泉,陈立新,王启东.二元稀土系AB5型贮氢电极合金的放电容量与晶胞体积和4f电子浓度的关系[J].金属学报,2003(07):781-784.
[24]	张勇,郭生武,柳永宁.Ti-Mn基储氢合金电化学容量的一个简易模型[J].中国有色金属学报,2001(01):79-83.
[25]	徐艳辉 et al.[J].计算机与应用化学,2002,19(02):125.

上一张下一张

计量

下载量()
访问量()

作者相关

文章评分

您的评分：
1

0%
2

0%
3

0%
4

0%
5

0%

材料期刊网