Effects of double substitution on MgH 2 hydrogen storage properties: An Ab initio study
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DOI: 10.1016/j.jallcom.2017.11.083
Abstract: Abstract Using Ab-initio calculations, we investigate the destabilizing effects of co-doped MgH 2 with Li and TM (Sc, Ti, V, Cr, Y, Zr, Nb, Mo). The calculations are performed using the all-electron full-potential local-orbital minimum-basis… read more here.
Keywords: substitution mgh; mgh; double substitution; heat formation ... See more keywords