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Experimental and theoretical investigation of hydrogen storage in magnesium based composites

TitoloExperimental and theoretical investigation of hydrogen storage in magnesium based composites
Tipo di pubblicazioneArticolo su Rivista peer-reviewed
Anno di Pubblicazione2007
AutoriGrbović-Novaković, J., Brdarić T., Novaković N., Matović Lj., Montone Amelia, and Mentus S.
RivistaMaterials Science Forum
Volume555
Paginazione343-348
ISBN Number0878494413; 9780878494415
ISSN02555476
Parole chiaveBall milling, Composite materials, Crystallography, Electronic structure, Hydrogen desorption, Hydrogen storage, Magnesium based composites, Magnesium compounds, Mechanical milling, Synthesis (chemical), Thermodynamic stability, X ray diffraction
Abstract

Magnesium based composites MgH2 + X (X=Ti, Co) were synthesized by ball milling in an argon atmosphere using stainless steel vial and balls. The crystallographic behavior of the resulting powders was examined by XRD. Thermal stability and hydrogen desorption properties were investigated by thermal analysis methods. In order to obtain a deeper insight into bonding mechanisms of the transition metal in MgH2 relaxed structure, ab initio electronic structure calculation of MgH2 + X (X=Ti, Co) was performed using Full Potential Linearized Augmented Plane Wave method, implemented in WIEN2K code. DOS analysis, confirmed by DTA measurements, resulted in the conclusion that, in the composite, in comparison to MgH2, the bonding Mg-H was weakened, on account of the shortening of interatomic distances hydrogentransition metal.

Note

cited By 4; Conference of 8th Conference of the Yugoslav Materials Research Society ; Conference Date: 4 September 2006 Through 8 September 2006; Conference Code:71102

URLhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-38349002719&partnerID=40&md5=5b1a2ebcb691b33773482de4bcc3fad8
Citation KeyGrbović-Novaković2007343