Thermodynamic analysis of hydrogen sorption reactions in Li-Mg-N-H systems

被引：31

作者：

Araujo, C. Moyses ^{[1
]}

Scheicher, Ralph H. ^{[1
]}

Ahuja, Rajeev ^{[1
,2
]}

机构：

[1] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

[2] Royal Inst Technol, Dept Mat & Engn, Appl Mat Phys Grp, S-10044 Stockholm, Sweden

来源：

APPLIED PHYSICS LETTERS | 2008年 / 92卷 / 02期

关键词：

D O I：

10.1063/1.2830703

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We report a comprehensive first-principles study of the thermodynamics of the hydrogen release reaction from xLiH-yMg(NH2)(2) mixtures involving the composition ratios (x=2, y=1), (x=8, y=3), and (x=12, y=3), with special emphasis on the effect of the different intermediate steps. For all three mixing ratios of LiH/Mg(NH2)(2) we find that the hydrogen release is initiated by the same reaction with an enthalpy of 46.1 kJ/mol of H-2 in excellent agreement with recent experimental results. Additionally, we also investigated the substitution of LiH by MgH2 as reaction partner of Mg(NH2)(2) in the fully hydrogenated state. (c) 2008 American Institute of Physics.

引用

页数：3

共 24 条

[1] Water splitting goes au naturel [J].

Alper, J .

SCIENCE, 2003, 299 (5613) :1686-1687

[2] Dehydriding reaction of Mg(NH2)2-LiH system under hydrogen pressure [J].

Aoki, M. ;

Noritake, T. ;

Kitahara, G. ;

Nakamori, Y. ;

Towata, S. ;

Orimo, S. .

JOURNAL OF ALLOYS AND COMPOUNDS, 2007, 428 (1-2) :307-311

[3] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[4]

BOQDANOVIC B, 1997, J ALLOY COMPD, V253, P1

[5] Interaction of hydrogen with metal nitrides and imides [J].

Chen, P ;

Xiong, ZT ;

Luo, JZ ;

Lin, JY ;

Tan, KL .

NATURE, 2002, 420 (6913) :302-304

[6] Hydrogen from catalytic reforming of biomass-derived hydrocarbons in liquid water [J].

Cortright, RD ;

Davda, RR ;

Dumesic, JA .

NATURE, 2002, 418 (6901) :964-967

[7] Alternative energy technologies [J].

Dresselhaus, MS ;

Thomas, IL .

NATURE, 2001, 414 (6861) :332-337

[8] Thermal decomposition of the non-interstitial hydrides for the storage and production of hydrogen [J].

Grochala, W ;

Edwards, PP .

CHEMICAL REVIEWS, 2004, 104 (03) :1283-1315

[9] Effects of ball-milling conditions on dehydrogenation of Mg(NH2)2-MgH2 [J].

Hu, Jianjiang ;

Xiong, Zhitao ;

Wu, Guotao ;

Chen, Ping ;

Murata, Kenji ;

Sakata, Ko .

JOURNAL OF POWER SOURCES, 2006, 159 (01) :120-125

[10] Hydrogen release from Mg(NH2)2-MgH2 through mechanochemical reaction [J].

Hu, Jianjiang ;

Wu, Guotao ;

Liu, Yongfeng ;

Xiong, Zhitao ;

Chen, Ping ;

Murata, Kenji ;

Sakata, Ko ;

Wolf, Gerd .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (30) :14688-14692

← 1 2 3 →