Majzoub Research Group

• Ph.D., Physics, Washington University, 2000
• B.S., Physics, Washington University, 1993

• Full Professor, Physics and Astronomy, University of Missouri - St. Louis, 2015
• Joint Appointment, Department of Chemistry and Biochemistry, 2013-present
• Associate Director, Center for Nanoscience, 2011-2016
• Associate professor, University of Missouri, St. Louis, 2010-present
• Assistant professor, University of Missouri, St. Louis, 2007
• Senior Member of the Technical Staff, Sandia National Laboratories, 2002

Current research interests: emergent geometry from large N matrix
models, AdS/CFT, non-commutative geometry, entanglement entropy of
interacting quantum systems

Research Web Page (under construction)
Courses and Teaching

• Anomalous H2 Desorption Rate of NaAlH4 Confined in Nitrogen-doped Nanoporous Carbon Frameworks, Carr, C.; Jayawardana, W; Zou, H.; White, J.; El Gaby, F.; Conradi, M.; Stavila, V.; Allendorf, A.; Majzoub, E.H.; J. Phys. Chem. C, 39, 2930-2938, https://doi.org/10.1021/acs.chemmater.8b00305, (2018).
• Interstitial-atom-induced phase transformation upon hydrogenation in vanadium, Sakaki, K.; Kim, H.; Iwase, K.; Majzoub, E.H. Machida, A.; Wtanuki, T.; Nakamura, Y., J. Al. Comp., 750, 33-41, (2018).
• Cationically Substituted Bi0.7Fe0.30 Cl Nanosheets as Li-Ion Battery Anodes, Myung, Yoon; Choi, Jaewon; Wu, Fei; Banerjee, Sriya; Majzoub, Eric; Jin, Jaewon; Son, Seung; Braun, Paul; Banerjee, Parag, Applied Materials and Interfaces, tbd, accepted (2017).
• Surface-functionalized nanoporous carbons for kinetically stabilized complex hydrides through Lewis acid-Lewis base chemistry, Carr, Chris; Majzoub, Eric, J. Phys. Chem. C, 120, 11426-11432, (2016).
• First-principles calculated decomposition pathways for LiBH4 nanoclusters, Chuang, F.-C.; Huang, Z.-Q.; Chen, W.-C.; Ozolins, V.; Majzoub, Eric, Scientific Reports, 6, 26056, (2016).
• Density Functional Theory of MH-MOH Solid Solubility (M=alkali) and Experiments in NaH- NaOH, Wang, Gang; Carr, Christopher; Zhao, Dongxue; Sorte, Eric; Ellis-Caleo, Tim; Conradi, Mark; Bowman, Robert; Majzoub, Eric, J. Phys. Chem. C., 119, 8062-8069 (2015).
• Detection of Fluorite-structured MgD2/TiD2 : Deuterium NMR, Emery, Samuel; Sorte, Eric; Bowman, Robert; Fang, Zhigang Zak; Ren, Chai; Majzoub, Eric; Conradi, Mark, J. Phys. Chem. C, 119, 7656-7661 (2015).
• Decomposition Behavior of Eutectic LiBH4 −Mg(BH4)2 and Its Confinement Effects in Ordered Nanoporous Carbon, Xiangfeng Liu, David Peaslee, T. Patrick Sheehan, and Eric H. Majzoub, J. Phys. Chem. C., 118, 27265-27271, (2014).
• An investigation into the hydrogen storage characteristics of Ca(BH4)2/LiNH2 and Ca(BH4)2/NaNH2: Evidence of intramolecular destabilization, N. Poonyayant, V. Stavila, E.H. Majzoub, L.E. Klebanoff, R. Behrens, N. Angboonpong, M. Kartin, P. Pakawatpanurut, E.S. Hecht, and J.S. Breit. J. Phys. Chem. C, 118, 14759-14769 (2014).
• NMR study of anion dynamics in solid KAlH4, E.G. Sorte, S.B. Emery, E.H. Majzoub, R.C. Bowman, Jr., M.S. Conradi, J. Phys. Chem. C, 118, 5725-5732 (2014).
• Degradation Mechanism Against Hydrogenation Cycles in Mg2−xPrxNi4, K. Sakaki , N. Terashita, H. Kim, E.H. Majzoub, A. Machida , T. Watanuki, S. Tsunokake, Y. Nakamura, E. Akiba, accepted J. Phys. Chem. C., 118, 5725-5732, (2014).
• Anisotropic Thermal Expansion in Molecular Solids: Theory and Experiment on LiBH4, N.A. Zarchevich, E.H. Majzoub, D.D. Johnson, accepted Phys. Rev. B, 89, 134308-1-5 (2014).
• Direct in-situ Characterization of the Dehydrogenation Process of LiBH4 Nanoconfined in Nanoporous Carbon, S.D. House, X. Liu, A.A. Rockett, E.H. Majzoub, I.M. Robertson, J. Phys. Chem. C., 118, 8843-8851 (2014).
• Effects of a Carbon Surface Environment on the Hydrogen Storage Properties of LiBH4: A first-principles study, T. Mason, E.H. Majzoub, J. Phys. Chem. C., 118, 8852-8858 (2014).
• Effects of NaOH in Solid NaH: Solution/Segregation Phase Transition and Diffusion Acceleration, E.G. Sorte, E.H. Majzoub, T. Ellis-Caleo, B. Hammann, S. Hayes, G. Wang, D. Zhao, R. Bowman, M.S. Conradi, J. Phys. Chem. C., 117, 23575-23581 (2013).
• Crystal structure and local structure of Mg2−xPrxNi−4 (x = 0.6 and 1.0) deuteride using in situ neutron total scattering, K. Sakaki, N. Terashita, H. Kim, T. Proffen, E.H. Majzoub, S. Tsunokake, Y. Nakamura, E. Akiba., Inorg. Chem., 52, 7010-7019 (2013).
• Review:Recent advances in metal hydrides for clean energy applications, Introductory article, and guest editors for Materials Research Society Bulletin for the June 2013 issue. E.C. Ronnebro, E.H. Majzoub.
• Dynamical Perturbations of Tetrahydroborate Anions in LiBH4 due to Nanoconfinement in Controlled-pore Carbon Scaffolds, Nina Verdal, T.J. Udovic, J.J. Rush, Xiangfeng Liu, E.H. Majzoub, M.R. Hartman, J.J. Vajo, A.F. Gross, . Phys. Chem. C, 117, 17983-17995 (2013).
• Probing the unusual anion mobility of LiBH4 in highly ordered nanoporous carbon frameworks via solid state NMR and quasielastic neutron scattering, Xiangfeng Liu, E.H. Majzoub, Vitalie Stavila, R.K. Bhakta, M.D. Allendorf, D.T. Shane, M.S. Conradi, Nina Verdal, T.J. Udovic, Son-Jong Hwang, J. Materials Chemistry A, 1, 9935- 9941 (2013).
• First-principles study of structural prototypes for NaAlH4: Elevated pressure polymorph in symmetry Fmm2 leads to a single-step decomposition pathway, E.H. Majzoub, E. Hazrati, G.A. de Wijs, J. Phys. Chem. C, 117, 8864-8870 (2013).
• Mobile species in NaAlH4, Eric G. Sorte, Robert C. Bowman, E.H. Majzoub, Margriet H.W. Verkuijlen, T.J. Udovic, M.S. Conradi, J. Phys. Chem. C., 117, 8105-8113 (2013).
• Tailoring the hydrogen storage properties of Li4BN3H10 by confinement into highly ordered nanoporous carbon, X. Liu, E.H. Majzoub, J. Mater. Chem. A, 1, 3926-3931, (2013).
• Thermodynamics and kinetics of NaAlH4 nanocluster decomposition, R.K. Bhakta, S. Maharrey, V. Stavila, A. Highley, E.H. Majzoub, M.D. Allendorf, Phys. Chem. Chem. Phys., DOI: 10.1039/C2CP40196G, (2012).
• Tuning metal hydride thermodynamics via size and composition: Li-H, Mg-H, Al-H, and Mg-Al-H nanoculsters for hydrogen storage, L.K. Wagner, E.H. Majzoub, M.D. Allendorf, J.C. Grossman, Phys. Chem. Chem. Phys., 14, 6611-6616, (2012).
• Methodology of materials discovery in complex metal hydrides using experimental and computational tools, E.H. Majzoub, E.C. Ronnebro, Mat. Sci. and Eng. R, 73, 15-26, (2012).
• First-principles study of novel conversion reactions for high-capacity Li-ion battery anodes in the Li-Mg-B-N-H system, T. Mason, X. Liu, J.Hong, J. Graetz, E.H. Majzoub, J. Phys. Chem. C, 115, 16681 (2011).
• First-principles calculated phase diagram for nanoclusters in the Na-Al-H system: A single step decomposition pathway for NaAlH4, E.H. Majzoub, Fei Zhou, Vidvuds Ozolins, J. Phys. Chem. C, 115, 2636 (2011).
• Systematic pore size effects of nanoconfinement of LiBH4: Elimination of diborane release and tunable behavior for hydrogen storage applications, X. Liu, C. Jost, D. Peaslee, T. Baumann, E.H. Majzoub, Chemistry of Materials, 23, 1331 (2011).
• Theoretical prediction of different decomposition paths for Ca(BH4)2 and Mg(BH4)2, Yongsheng Zhang, E.H. Majzoub, V. Ozolins, C. Wolverton, Phys. Rev. B., 82, 174107 (2010).
• Improved synthesis of bis(borano)hypophosphite salts., M.R. Anstey, M.T. Corbett, E.H. Majzoub, and J.G. Cordaro, Inorg Chem. *49*(18):8197-9 (2010).
• Controlling the decomposition pathway of LiBH4 via confinement in highly-ordered nanoporous carbon, Xiangfeng Liu, David Peaslee, C.Z. Jost, and E.H. Majzoub, J. Phys. Chem. C, 114, 14036-14041 (2010).
• LiSc(BH4)4 as a Hydrogen Storage Material: Multinuclear High Resolution Solid State NMR and First-Principles Density Functional Theory Studies, S. Hwang,C. Kim, R. Bowman, J. Reiter, J. Zan,J. Kulleck, H. Kabbour, V. Ozolins, E.H. Majzoub. Journal of Physical Chemistry C, 113, 9956-9968 (2009).
• The crystal structures of calcium borohydride: theory and experiment, E.H. Majzoub, E. Ronnebro, J. Phys. Chem. C, 113, 3352-3358 (2009).
• First-Principles Prediction of Thermodynamically Reversible Hydrogen Storage Reactions in the Li-Mg-Ca-B-H system, V. Ozolins, E.H. Majzoub, and C. Wolverton, J. Am. Chem. Soc., 131, 230-237 (2009).
• 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., 476, 446-450 (2008).
• 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).
• 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).
• 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).
• Calcium borohydride for hydrogen storage: Catalysis and reversibility, E. Ronnebro, E.H. Majzoub, J. Phys. Chem. B Lett., *111*(42), 12045, (2007).
• 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).
• 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).
• ^{27}Al and ^{1}H MAS NMR and ^{27}Al Multiple Quantum Studies of Ti-doped NaAlH₄, J.L. Herberg, R.S. Maxwell, E.H. Majzoub, J. Al. Comp., 417, 39-44, (2006).
• 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).
• 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).
• 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).
• 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).
• 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).
• Titanium-Halide Catalyst-Precursors in Sodium Aluminum Hydrides, E.H. Majzoub, K.J. Gross, J. Al. Comp., 356-357, 363-367, (2003).
• 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).
• 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).
• 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).
• For older publications, see my CV. Last updated May 2021

Pre-2018 Research Focus: Materials Physics

The research focus in our group is materials physics. Our group currently encompasses both experimental and computational work. We use first-principles quantum chemistry, density functional theory, and other computational techniques to understand the electronic, mechanical, and thermodynamic properties of the materials we study.

Current research interests: hydrogen storage in complex hydrides; Li-ion anode materials; nanoporous frameworks for enhancing kinetics and controlling reaction pathways in energy storage materials; sensing devices, involving but not limited to, surface enhanced Raman spectroscopy (SERS); Monte Carlo techniques for crystal structure prediction; crystal structure determination and characterization; lattice vibrational properties of molecular crystals; nanoporous materials. Our group specializes in novel crystal structure prediction techniques using advanced Monte Carlo codes.