镁基储氢材料的吸放氢性能
Hydriding and Dehydrogenating Properties of Magnesium-based Hydrogen Storage Materials
摘 要
镁基储氢合金作为MH-Ni电池负极的候选材料,是一种很有应用前景的储氢材料.总结了纳米晶、催化剂改性等对镁基储氢材料吸放氢性能的影响,介绍了不同镁基储氢复合材料的吸放氢性能以及基于密度泛函理论的第一原理计算方法在镁基储氢材料吸放氢性能方面所做的一些基础理论研究,指出随着量子化学、凝聚态物理等学科以及计算机技术的发展,理论计算方法在研究镁基储氢材料吸放氢性能方面的作用将越来越重要.
吸放氢性能
纳米晶
magnesium-based hydrogen storage material
hydriding and dehydrogenating properties
nanocrystalline
Abstract
As potential good candidates for high-capacity MH-Ni batteries and excellent applications,the hydriding and dehydrogenating properties of magnesium-based hydrogen storage alloys have been extensively studied.The influence of nanocrystalline particles and catalysts on the hydriding and dehydrogenating properties of magnesium-based hydrogen storage materials are summarized in this paper.The hydriding and dehydrogenating properties of magnesium-based hydrogen storage composites and some new basic theory results getting from a first-principle plane-wave pseudopotential method based on density functional theory(DFT) are introduced.It is pointed out that the theory calculation method is more and more important with the development of quantum chemistry and condensed matter as well as the improvement of computational ability and computational speed.
中图分类号 TG146.2
所属栏目
基金项目 湖南大学引进人才基金资助项目(20068339828);教育部博士点基金资助项目(20020530012)
收稿日期 2007/6/20
修改稿日期 2007/9/11
网络出版日期
作者单位点击查看
备注周惦武(1971-),男,湖北浠水人,副教授,博士.
引用该论文: ZHOU Dian-wu,LIU Jin-shui,LU Yuan-zhi,ZHANG Chu-hui. Hydriding and Dehydrogenating Properties of Magnesium-based Hydrogen Storage Materials[J]. Materials for mechancial engineering, 2008, 32(4): 5～9
周惦武,刘金水,卢远志,张楚慧. 镁基储氢材料的吸放氢性能[J]. 机械工程材料, 2008, 32(4): 5～9
共有人对该论文发表了看法，其中：
人认为该论文很差
人认为该论文较差
人认为该论文一般
人认为该论文较好
人认为该论文很好
参考文献
【1】Zaluska A,Zaluski L,Strom-olsen J O.Nanocrystalline magnesium for hydrogen storage[J].J Alloys Comp,1999,288(1/2):217-225.
【2】Liang G,Huot J,Boily S,et al.Catalytic effect of transition metals on hydrogen sorption in nanocrystalline ball milled MgH2-Tm (Tm=Ti,V,Mn,Fe and Ni) systems[J].J Alloys Comp,1999,292(1/2):247-252.
【3】Liang G,Huot J,Boily S,et al.Hydrogen storage properties of the mechanically milled MgH2-V nanocomposite[J].J Alloys Comp,1999,291(1/2):295-299.
【4】Pelletier J F,Huot J,Sutton M,et al.Hydrogen desorption mechanism in MgH2-Nb nanocomposites[J].Phys Rev B,2001,63(5):052103-052106.
【5】Oelerich W,Klassen T,Bormann R.Metal oxides as catalysts for improved hydrogen sorption in nanocrystalline Mg-based materials[J].J Alloys Comp,2001,315(1/2):237-242.
【6】Imamura H,Takesue Y,Akimoto T,et al.Hydrogen-absorbing magnesium composites prepared by mechanical grinding with graphite:effects of additives on composite structures and hydriding properties[J].J Alloys Comp,1999,293/295(1/2):564-568.
【7】Imamura H,Tabata S,Takesue Y,et al.Hydriding-dehydriding behavior of magnesium composites obtained by mechanical grinding with graphite carbon[J].Int J Hydrogen Energy,2000,25(9):837-843.
【8】Mandal P,Dutta K,Ramakrishna K,et al.Synthesis,characterization and hydrogenation behaviour of Mg-x(wt).%FeTi(Mn) and La2Mg17-x(wt).%LaNi5 new hydrogen storage composite alloys[J].J Alloys Comp,1992,184(1):1-9.
【9】Dutta K,Srivastava O N.Synthesis,structural characterization and hydrogenation behaviour of the new hydrogen storage composite alloy La2Mg17-x(wt).%LaNi5[J].J Mater Sci,1993,28(13):3457-3462.
【10】Dutta K,Srivastava O N.Synthesis and hydrogen storage characteristics of the composite alloy La2Mg17-x(wt).% MnNi4.5Al0.5[J].Int Hydrogen Energy,1993,18(5):397-403.
【11】Gross K,Spatz P,Zuttel A,et al.Mechanically milled Mg composites for hydrogen storage.The transition to a steady state composition[J].J Alloys Comp,1996,240(1/2):206-213.
【12】Gross K,Spatz P,Zuttel A,et al.Mg composites for hydrogen storage.The dependence of hydriding properties on composition[J].J Alloys Comp,1997,261(1/2):276-280.
【13】Raman S S,Srivastava O N.Investigation of the synthesis and hydrogenation/dehydrogenation characteristics of the composite material Mg-x(wt)% CFMmNi5[J] .Int Hydrogen Energy,1996,21(3):207-211.
【14】Davidson D J,Sai Raman S S,Srivastava O N.Investigation on the synthesis,characterization and hydrogenation behaviour of new Mg-based composite materials Mg-x(wt).% MmNi4.6Fe0.4 prepared through mechanical alloying[J].J Alloys Comp,1999,292(1/2):194-201.
【15】Liang G,Boily S,Huot J,et al.Hydrogen absorption properties of a mechanically milled Mg-50(wt).% LaNi5 composite[J].J Alloys Comp,1998,268(1/2):302-307.
【16】Liang G,Huot J,Boily S,et al.Hydrogen storage in mechanically milled Mg-LaNi5 and MgH2-LaNi5 composites[J].J Alloys Comp,2000,297(1/2):261-265.
【17】Sai Raman S S,Davidson D J,Srivastava O N.On the synthesis,characterization and hydrogenation behaviour of Mg-based composite materials Mg-x (wt).% CFMmNi5 prepared through mechanical alloying[J].J Alloys Comp,1999,292(1/2):202-211.
【18】Liang G,Boily S,Huot J,et al.Mechanical alloying and hydrogen absorption properties of the Mg-Ni system[J].J Alloys Comp,1998,267(1/2):302-306.
【19】Mandal P,Dutta K,Ramakrishna K,et al.Synthesis,characterization and hydrogenation behaviour of Mg-x(wt).%FeTi(Mn) and La2Mg17-x(wt).%LaNi5 new hydrogen storage composite alloys[J].J Alloys Comp,1992,184(1):1-9.
【20】Wang P,Wang A M,Ding B Z,et al.Mg-FeTi1.2(amorphous) composite for hydrogen storage[J].J Alloys Comp,2002,334(1/2):243-248.
【21】Wang P,Wang A,Wang Y L,et al.Decomposition behavior of MgH2 prepared by reaction balling-milling[J].Scripta Mater,2000,43(1):83-87.
【22】Wang P,Wang A,Zhang H F.Hydriding properties of a mechanically milled Mg-50(wt).% ZrFe1.4Cr0.6 composite[J].J Alloys Comp,2000,297(1/2):240-245.
【23】Dehouche Z,Goyette J,Bose T K,et al.Bimetallic catalyst effect on the sorption properties of nanocrystalline MgH2 hydride[J].Mater Sci Forum,2001,377:77-84.
【24】Zhou D W,Peng P,Liu J S,et al.A first-principles study on the structural stability of 3d transition metal alloying magnesium hydride[J].Trans Nonferr Met Soc China,2006,16(1):23-32.
【25】Zhou D W,Peng P,Liu J S.First-principles Calculation of Dehydrogenating Properties of MgH2-V Systems[J].Scienctia Sinica Series E,2006,49(2):129-136.
【26】Zhou D W,Li S L,Varin R A,et al.Mechanical alloying and electronic simulations of 2Mg-Fe mixture powers for hydrogen storage[J].Mater Sci Eng A,2006,427(1/2):306-315.
【2】Liang G,Huot J,Boily S,et al.Catalytic effect of transition metals on hydrogen sorption in nanocrystalline ball milled MgH2-Tm (Tm=Ti,V,Mn,Fe and Ni) systems[J].J Alloys Comp,1999,292(1/2):247-252.
【3】Liang G,Huot J,Boily S,et al.Hydrogen storage properties of the mechanically milled MgH2-V nanocomposite[J].J Alloys Comp,1999,291(1/2):295-299.
【4】Pelletier J F,Huot J,Sutton M,et al.Hydrogen desorption mechanism in MgH2-Nb nanocomposites[J].Phys Rev B,2001,63(5):052103-052106.
【5】Oelerich W,Klassen T,Bormann R.Metal oxides as catalysts for improved hydrogen sorption in nanocrystalline Mg-based materials[J].J Alloys Comp,2001,315(1/2):237-242.
【6】Imamura H,Takesue Y,Akimoto T,et al.Hydrogen-absorbing magnesium composites prepared by mechanical grinding with graphite:effects of additives on composite structures and hydriding properties[J].J Alloys Comp,1999,293/295(1/2):564-568.
【7】Imamura H,Tabata S,Takesue Y,et al.Hydriding-dehydriding behavior of magnesium composites obtained by mechanical grinding with graphite carbon[J].Int J Hydrogen Energy,2000,25(9):837-843.
【8】Mandal P,Dutta K,Ramakrishna K,et al.Synthesis,characterization and hydrogenation behaviour of Mg-x(wt).%FeTi(Mn) and La2Mg17-x(wt).%LaNi5 new hydrogen storage composite alloys[J].J Alloys Comp,1992,184(1):1-9.
【9】Dutta K,Srivastava O N.Synthesis,structural characterization and hydrogenation behaviour of the new hydrogen storage composite alloy La2Mg17-x(wt).%LaNi5[J].J Mater Sci,1993,28(13):3457-3462.
【10】Dutta K,Srivastava O N.Synthesis and hydrogen storage characteristics of the composite alloy La2Mg17-x(wt).% MnNi4.5Al0.5[J].Int Hydrogen Energy,1993,18(5):397-403.
【11】Gross K,Spatz P,Zuttel A,et al.Mechanically milled Mg composites for hydrogen storage.The transition to a steady state composition[J].J Alloys Comp,1996,240(1/2):206-213.
【12】Gross K,Spatz P,Zuttel A,et al.Mg composites for hydrogen storage.The dependence of hydriding properties on composition[J].J Alloys Comp,1997,261(1/2):276-280.
【13】Raman S S,Srivastava O N.Investigation of the synthesis and hydrogenation/dehydrogenation characteristics of the composite material Mg-x(wt)% CFMmNi5[J] .Int Hydrogen Energy,1996,21(3):207-211.
【14】Davidson D J,Sai Raman S S,Srivastava O N.Investigation on the synthesis,characterization and hydrogenation behaviour of new Mg-based composite materials Mg-x(wt).% MmNi4.6Fe0.4 prepared through mechanical alloying[J].J Alloys Comp,1999,292(1/2):194-201.
【15】Liang G,Boily S,Huot J,et al.Hydrogen absorption properties of a mechanically milled Mg-50(wt).% LaNi5 composite[J].J Alloys Comp,1998,268(1/2):302-307.
【16】Liang G,Huot J,Boily S,et al.Hydrogen storage in mechanically milled Mg-LaNi5 and MgH2-LaNi5 composites[J].J Alloys Comp,2000,297(1/2):261-265.
【17】Sai Raman S S,Davidson D J,Srivastava O N.On the synthesis,characterization and hydrogenation behaviour of Mg-based composite materials Mg-x (wt).% CFMmNi5 prepared through mechanical alloying[J].J Alloys Comp,1999,292(1/2):202-211.
【18】Liang G,Boily S,Huot J,et al.Mechanical alloying and hydrogen absorption properties of the Mg-Ni system[J].J Alloys Comp,1998,267(1/2):302-306.
【19】Mandal P,Dutta K,Ramakrishna K,et al.Synthesis,characterization and hydrogenation behaviour of Mg-x(wt).%FeTi(Mn) and La2Mg17-x(wt).%LaNi5 new hydrogen storage composite alloys[J].J Alloys Comp,1992,184(1):1-9.
【20】Wang P,Wang A M,Ding B Z,et al.Mg-FeTi1.2(amorphous) composite for hydrogen storage[J].J Alloys Comp,2002,334(1/2):243-248.
【21】Wang P,Wang A,Wang Y L,et al.Decomposition behavior of MgH2 prepared by reaction balling-milling[J].Scripta Mater,2000,43(1):83-87.
【22】Wang P,Wang A,Zhang H F.Hydriding properties of a mechanically milled Mg-50(wt).% ZrFe1.4Cr0.6 composite[J].J Alloys Comp,2000,297(1/2):240-245.
【23】Dehouche Z,Goyette J,Bose T K,et al.Bimetallic catalyst effect on the sorption properties of nanocrystalline MgH2 hydride[J].Mater Sci Forum,2001,377:77-84.
【24】Zhou D W,Peng P,Liu J S,et al.A first-principles study on the structural stability of 3d transition metal alloying magnesium hydride[J].Trans Nonferr Met Soc China,2006,16(1):23-32.
【25】Zhou D W,Peng P,Liu J S.First-principles Calculation of Dehydrogenating Properties of MgH2-V Systems[J].Scienctia Sinica Series E,2006,49(2):129-136.
【26】Zhou D W,Li S L,Varin R A,et al.Mechanical alloying and electronic simulations of 2Mg-Fe mixture powers for hydrogen storage[J].Mater Sci Eng A,2006,427(1/2):306-315.
相关信息
