Selected Publications
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Metastability and crystal structure of the bialkali complex metal borohydride NaK(BH4)2, L. Seballos, J. Z. Zhang, E. Ronnebro, J.L. Herberg, E.H. Majzoub, J. Al. Comp., in press (2008).
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First-principles
prediction of a ground
state crystal structure of magnesium borohydride, V. Ozolins,
E.H. Majzoub, C. Wolverton, Phys. Rev. Lett., 100, 135501, (2008).
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Prototype electrostatic
ground state
approach to predicting crystal structures of ionic compounds:
Application to hydrogen storage materials, E.H. Majzoub, V.
Ozolins, Phys. Rev. B, 77, 104115, (2008).
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Computational and
spectroscopic studies of dichlorofluoroethane hydrate structure and
stability, J.A. Greathouse, R.T. Cygan, R.W. Bradshaw, E.H.
Majzoub, B.A. Simmons, J. Phys. Chem. C, 111(45), 16787 (2007).
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Calcium borohydride for
hydrogen storage: Catalysis and reversibility, E. Ronnebro, E.H.
Majzoub, J. Phys. Chem. B Lett., 111(42), 12045, (2007).
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Crystal
structure, Raman spectroscopy, and
ab initio calculations of a new bialkali alanate K2LiAlH6,
E. Ronnebro, E.H. Majzoub, J. Phys. Chem. B, 110, 25686, (2006).
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Location and energy of interstitial hydrogen in the 1 / 1 approximant W-TiZrNi
of the icosahedral TiZrNi quasicrystal: Rietveld refinement of x-ray
and neutron diffraction data and density-functional calculations,
R.G. Hennig, E.H. Majzoub, K.F. Kelton, Phys. Rev. B,73, 184205, (2006).
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27Al
and 1H MAS NMR
and 27Al Multiple Quantum Studies of Ti-doped NaAlH4,
J.L. Herberg, R.S. Maxwell, E.H. Majzoub, J. Al. Comp., 417, 39-44,
(2006).
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Lattice
dynamics of NaAlH4 from
high-temperature single-crystal Raman scattering and ab initio
calculations: Evidence of highly stable AlH4 anions,
E.H. Majzoub, V. Ozolins, K.F. McCarty, Phys. Rev. B, 71, 024118,
(2005).
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XRD and NMR investigation of Ti-compound
formation in solution-doping of sodium aluminum hydrides: Solubility of
Ti in NaAlH4 crystals grown in THF, E.H. Majzoub,
J.L. Herberg, R. Stumpf, S. Spangler, R.S. Maxwell., J. Al. Comp., 394,
265-270, (2005).
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Electronic
structure and Rietveld
refinement parameters of Ti-doped sodium alanates, V.
Ozolins,
E.H. Majzoub, T.J. Udovic, J. Al. Comp., 375, 1-10, (2004).
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Gaseous
Hydrogen Charging of Zr-Cu-Ni-Al
Glasses and Quasicyrstals, V.T. Huett, D. Zander, L. Jastrow,
E.H. Majzoub, K.F. Kelton, U. Koester, J. Al. Comp., 379,
16-22, (2004).
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Local
structure in hydrogenated Ti-Zr-Ni
quasicrystals and approximants, A. Sadoc, E.H. Majzoub, V.T.
Huett, K.F. Kelton, J. Al. Comp., 356-357, 96-99, (2003).
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Titanium-Halide
Catalyst-Precursors in
Sodium Aluminum Hydrides, E.H. Majzoub, K.J. Gross, J. Al.
Comp., 356-357, 363-367, (2003).
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The
effects of titanium precursors on
hydriding properties of alanates, K.J. Gross, E.H. Majzoub, S.
Spangler, J. Al. Comp., 356-357, 423-428, (2003).
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Evolution
of the local structure with
hydrogenation in Ti-Zr-Ni quasicrystals and approximants., A.
Sadoc, E.H. Majzoub, V.T. Huett, K.F. Kelton, J. Phys.: Cond. Mat., 14,
no. 25, July (2002).
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Rietveld
Refinement and Ab Initio
Calculations of a C14-like Laves Phase in Ti-Zr-Ni, E.H.
Majzoub, R.G. Hennig, and K.F. Kelton. Phil. Mag. Lett., 83, no. 1,
65-71, (2003).
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