First-principles study the structural, electronic, vibrational and thermodynamic properties of Zr1−xHfxCoH3
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DOI: 10.1016/j.ijhydene.2018.08.130
Abstract: Abstract The structural, electronic, vibrational and thermodynamic properties of Zr1−xHfxCoH3 (x = 0.0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) are investigated using first principles approach based on the virtual crystal approximation (VCA). The results indicate the series… read more here.
Keywords: thermodynamic properties; zr1 xhfxcoh3; structural electronic; electronic vibrational ... See more keywords