Study of the Cu–Li–Mg–H system by thermal analysis
作者： M. H. Braga , J. A. Ferreira , M. J. Wolverton
DOI: 10.1007/S10973-011-2126-0
关键词:
摘要: Finite fossil-fuel supplies, nuclear waste and global warming linked to CO2 emissions have made the development of alternative/'green' methods energy production, conver- sion storage popular topics in today's energy-conscious society. These crucial environmental issues, together with rapid advance eagerness from electric automotive industry combined make radically improved systems a worldwide imperative. CuMg2 has an orthorhombic crystal structure does not form hydride: it reacts reversibly hydrogen produce Cu2Mg MgH2. However, CuLixMg2-x (x = 0.08) hexagonal structure, just like NiMg2, compound known for its properties. NiMg2 absorbs up 3.6 wt% H. Our studies showed that only considerable amount hydrogen, but also starts releasing at temperature range 40-130 C. In order determine properties hydrogenated CuLixMg2-x, absorption- desorption, Differential scanning calorimeter thermo- gravimetric experiments were performed. Neutron spectra collected elucidate behavior Li-doped intermetallic. Using DFT calculations we able best value x compare different possible structures hydride.
springer.com
up.pt
akademiai.com参考文章(33)
Huaiyu Shao, Yuntao Wang, Hairuo Xu, Xingguo Li, Preparation and hydrogen storage properties of nanostructured Mg2Cu alloy Journal of Solid State Chemistry. ,vol. 178, pp. 2211- 2217 ,(2005) , 10.1016/J.JSSC.2005.04.036
Klaus Yvon, Guillaume Renaudin, None, Hydrides: Solid State Transition Metal Complexes Encyclopedia of Inorganic and Bioinorganic Chemistry. ,(2006) , 10.1002/0470862106.IA087
Simon Higgins, William Eccleston, Mater. Res. Soc. Symp. Proc. MRS. ,(2006)
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
James J. Reilly, Richard H. Wiswall, Reaction of hydrogen with alloys of magnesium and copper Inorganic Chemistry. ,vol. 6, pp. 2220- 2223 ,(1967) , 10.1021/IC50058A020
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Computational Materials Science. ,vol. 6, pp. 15- 50 ,(1996) , 10.1016/0927-0256(96)00008-0
H.G. Schimmel, M.R. Johnson, G.J. Kearley, A.J. Ramirez-Cuesta, J. Huot, F.M. Mulder, The vibrational spectrum of magnesium hydride from inelastic neutron scattering and density functional theory Materials Science and Engineering B-advanced Functional Solid-state Materials. ,vol. 108, pp. 38- 41 ,(2004) , 10.1016/J.MSEB.2003.10.035
Stewart F. Parker, Upali A. Jayasooriya, John C. Sprunt, Manfred Bortz, Klaus Yvon, Inelastic neutron scattering, IR and Raman spectroscopic studies of Mg2CoH5 and Mg2CoD5 Journal of the Chemical Society, Faraday Transactions. ,vol. 94, pp. 2595- 2599 ,(1998) , 10.1039/A803802C