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Yun Hang Hu

Yun Hang Hu

Assistant Professor
Department of Materials Science and Engineering
502 M&M Building
Shipping/Mailing Address

906.487.2261
906.487.2934 Fax
yunhangh@mtu.edu


Education

PhD (Chemistry), Xiamen University
MSc (Chemistry), Chinese Academy of Sciences
BSc (Chemistry), Nanchang University

Professional Experiences

After postdoctoral experience with the State University of New York at Buffalo, I joined the ExxonMobil Research & Engineering Company as a senior engineer in 1998 and the University at Buffalo as a research professor in 2002. I joined the faculty of the Michigan Tech University in 2007.

Research Areas

The research programs in my laboratory are centered on using chemical and physical approaches towards the synthesis and the characterization of advanced materials, the evaluation of catalytic reaction mechanisms, and molecule-based drug designs.

Hydrogen storage materials: An effective hydrogen storage technology that provides high storage capacity and fast kinetics is a critical factor in the development of a hydrogen fuel for transportation. Hydrogen can be stored via three ways: liquefaction, compressed hydrogen, and storage in a solid material. The large amount of energy consumed during liquefaction and the continuous boil-off of hydrogen limit the possible use of liquid-hydrogen storage technology. Compressing hydrogen requires a very high pressure to obtain enough hydrogen fuel for a reasonable driving cycle of 300 miles, which in turn leads to safety issues related to tank rupture in case of accidents. Therefore, hydrogen storage in solid materials has become one of the most important research areas. However, conventional hydrogen storage materials, such as metal hydrides, have low reversible hydrogen capacities. The research activities in my laboratory are focused on novel materials that have high reversible hydrogen capacities, such as Li-N based compounds and metal-organic frameworks (MOFs).

Nano-structured materials: Fullerenes (the hollow carbon cages) and the related carbon nanotubes have attracted the chemists, physicists, and material scientists because of their potential applications as superconductors, molecular containers, and drug-delivers. These clusters constitute a third form of elementary carbon, besides graphite and diamond, and allow us to develop a rich exohedral, endohedral, and cage-surface substitute chemistry, which makes them ideal candidates as building blocks of a carbon-based nanotechnology. Our research involves the defect structures of fullerene cages and nano-tubes, new approaches to introduce guest molecules into fullerene cages and to tune their stabilities and orientations inside fullerene cages, and their applications. Furthermore, non-carbon nano-cages and tubes are also attracting our attention.

Heterogeneous catalysis: Catalysts play a vital role in many industrial processes. Understanding mechanistic details of surface-catalyzed reactions may pay the way to the design of new and improved catalysts. However, determination of mechanistic details remains challenging because there are few effective in-situ techniques that can be used for characterization of reactive surface species. Our research aim is to develop transient response techniques via combining FT-IR and isotope-MS for the evaluation of heterogeneous catalytic reactions. On the other hand, catalysis can also play an important role in solving energy issues. In this direction, our research interest is to employ catalytic processes for production of new fuels, such as hydrogen.

Molecule-based drug designs: In conventional approaches, thousands of compounds have to be screened to find a promising new drug. However, molecule-based drug designs, which can predict how a compound interacts with receptor sites, can allow ones to find better compounds more quickly.

The sickle-cell disease is a genetic disease that most commonly affects African-Americans. The use of hydroxyurea represents the first specific therapy for this class of genetic diseases. The principal therapeutic effect of hydroxyurea in sickle-cell patients is believed to be an increase in the fraction of fetal hemoglobin via a nitroxide radical pathway. Therefore, the stability of nitroxide radicals is a key factor controlling the efficiency of hydroxyurea. The research in my laboratory is focused on tuning stabilities of nitroxide radicals based on structure analysis.

Although the great advances achieved in the therapy of AIDS, the quick mutation of human immunodeficiency virus (HIV) that leads to resistance toward the modern therapies and the high toxicity of currently used drugs strongly encourage the discovery of new agents. Since macroscopic sample of C60 became available in 1990, its bio-applications have been extremely suggested. Furthermore, it was found that C60 can inhibit the HIV protease (HIVPR). However, the efficiency of C60 is dependent on its interactions with HIVPR. Our aim is to tune such interactions via modifying C60 structures based on ab initio quantum calculations.

Computational methods for large-systems: Ab initio calculation of bulk properties of crystals with a high accuracy represents a great challenge. The difficulty in calculating the properties of large chemical systems using first-principles is that there are conflicting demands on the theory. The high mathematical accuracy and a short computational time require the use of a small cluster as a calculation model, while the minimization of the truncation effects demands a large calculation-model. To overcome these difficulties, our approach is to formulate a conservation principle, which holds for various sizes of a compound, ranging from diatomic molecules to clusters and large crystals. Using such a conservation principle, an accurate prediction of the properties of large systems can be obtained from the ab initio or density functional theory (DFT) calculations of smallest clusters.

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Selected Peer-reviewed Journal Publications

  1. Y. H. Hu, E. Ruckenstein, “Tunable delocalization of unpaired electrons of nitroxide radicals for sickle-cell disease drug improvements” , J. Phys. Chem. B 111, 5040(2007).

  2. Y. H. Hu, E. Ruckenstein, “Steam reforming products (H2/CO2 mixture) used as a hydrogen resource for hydrogen storage in Li3N”, Ind. Eng. Chem. Res., 46, 5940(2007).

  3. Y. H. Hu, E. Ruckenstein, Nanostructured Li2O from LiOH by electron-irradiation” , Chem. Phys. Lett. 430, 80(2006).

  4. Y. H. Hu, E. Ruckenstein, “A promising hydrogen storage material-clathrate hydrogen hydrate”, Angew. Chem. Int. Ed. 45, 2011 (2006).

  5. Y. H. Hu, E. Ruckenstein, “Applicability of Dubinin-Astakhov equation to CO2 adsorption on single-walled carbon nanotubes”, Chem. Phys. Lett., 425, 306(2006).

  6. Y. H. Hu, E. Ruckenstein, “Ultra-fast reaction between Li3N and LiNH2 to prepare the effective hydrogen storage material Li2NH”, Ind. Eng. Chem. Res. 45, 4993(2006).

  7. Y. H. Hu, E. Ruckenstein, “Hydrogen storage of Li2NH prepared by reacting Li with NH3”, Ind. Eng. Chem. Res. 45, 182(2006).

  8. Y. H. Hu, E. Ruckenstein, “Endohedral complexes of C60-based fullerene nano-cages”, J. Amer. Chem. Soc., 127, 11277(2005).

  9. Y. H. Hu, E. Ruckenstein, “Bond order bond polarizability model (BOBP) for fullerene cages and nanotubes”, J. Chem. Phys. 123, 214708(2005).

  10. Y. H. Hu, E. Ruckenstein, “Endohedral complexes of non-π C60H60 nano-cage with small guest molecules”, J. Chem. Phys. 123, 144303(2005).

  11. Y. H. Hu, N.Y.Yu, E. Ruckenstein, “Hydrogen storage in Li3N: Deactivation caused by a high temperature”, Ind. Eng. Chem. Res .44, 4304(2005).

  12. Y. H. Hu, Ruckenstein, “High reversible-hydrogen storage capacity with ultra-fast kinetics of LiNH2/Li3N”, Ind. Eng. Chem. Res . 44, 1510(2005).

  13. Y. H. Hu, E. Ruckenstein, “Quantum chemical density functional theory (DFT) calculations of the structures of defect C60 with four vacancies”, J. Chem. Phys., 120, 7971(2004).

  14. Y. H. Hu, E. Ruckenstein, “Pore size distribution of single-walled carbon nanotubes”, Ind. Eng. Chem. Res., 43, 708(2004).

  15. Y. H. Hu, E. Ruckenstein, “Endohedral chemistry of C58 cage with H2 and CO”, Chem. Phys. Lett.,390, 472 (2004).

  16. Y. H. Hu, N.Y.Yu, E. Ruckenstein, “Effect of pre-treatments on hydrogen storage in Li3N-based materials”, Ind. Eng. Chem. Res . 43, 4174(2004).

  17. Y. H. Hu, E. Ruckenstein, “Catalytic conversion of methane to synthesis gas by partial oxidation and CO2 reforming”, Adv. Catal., 48, 297(2004).

  18. Y. H. Hu, E. Ruckenstein, “Highly effective Li2O/Li3N with ultrafast kinetics for H2 storage”, Ind. Eng. Chem. Res., 43, 2464 (2004).

  19. Y. H. Hu, E. Ruckenstein, “The BEBO calculations of resonance energies of fullerene nano-cages”, Chem. Phys. Lett. 399, 503(2004).

  20. Y.H.Hu, “ER-BOC calculations of crystal bulk properties from smallest-cluster models”, J. Amer. Chem. Soc., 125, 4388(2003).

  21. Y.H.Hu, E. Ruckenstein, “Ab initio quantum chemical calculation for fullerene cages with large holes” J. Chem. Phys., 119, 10073(2003).

  22. Y.H.Hu, E. Ruckenstein, “Ultra-fast reaction between LiH and NH3 during H2 storage in Li3N”, J. Phys. Chem. A, 107, 9737(2003).

  23. Y. H. Hu, E. Ruckenstein, “Multiple transient responses to identify the mechanisms of heterogeneous catalytic reactions”, Accounts of Chemical Research, 36, 791( 2003).

  24. Y.H.Hu, E.Ruckenstein, “H2 storage in Li3N. Temperature-programmed hydrogenation and dehydrogenation”, Ind. Eng. Chem. Res., 42, 5135(2003).

  25. Y.H. Hu, J. S. Feeley, “Thermodynamic isotope effect in partial oxidation of methane to syngas”, AIChE Journal, 49, 3253(2003).

  26. Y.H. Hu, “CO2 conversion and utilization”, Energy & Fuels, 16, 1329(2002). (Book review invited by editor).

  27. Y.H.Hu, E.Ruckenstein, “Binary MgO-based solid solution catalysts for methane to syngas”, Catalysis Review 44(3), 423(2002).

  28. E.Ruckenstein, Y.H.Hu, “Highly efficient catalysts for CO2 reforming of methane”, Chemical Innovation 30(3), 39(2000).

  29. Y.H.Hu, E.Ruckenstein, “High resolution TEM study of carbon deposition on NiO/MgO solid solution catalysts”, J. Catal.,184, 298 (1999).

  30. Y.H.Hu, E.Ruckenstein, “Isotopic study of the reaction of methane with lattice oxygen of the NiO/MgO catalysts”, Catal. Lett., 57, 167(1999).

  31. E.Ruckenstein, Y.H.Hu, “Methane partial oxidation over NiO/MgO solid solution catalysts”, Appl. Catal. (A), 183, 85(1999).

  32. E.Ruckenstein, Y.H.Hu, “Catalytic preparation of narrow pore size distribution mesoporous carbon materials”, Carbon 36, 269, (1998).

  33. Y.H.Hu, E.Ruckenstein, “Isotopic GCMS study of the mechanism of methane partial oxidation to synthesis gas”, J. Phys. Chem. (A) 102, 10568(1998).

  34. E.Ruckenstein, Y.H.Hu, “Combination of CO2 reforming and partial oxidation of methane over Ni/MgO catalyst”, Ind. Eng. Chem. Res., 37, 1744(1998).

  35. Y.H.Hu, E.Ruckenstein, “Catalyst temperature oscillations during partial oxidation of methane to synthesis gas”, Ind. Eng. Chem. Res., 37, 2333(1998).

  36. E.Ruckenstein, Y.H.Hu, “Role of lattice oxygen during CO2 reforming of methane over NiO/MgO solid solutions”, Catal. Lett., 51, 183(1998).

  37. Y.H.Hu, E.Ruckenstein, “Broadened pulse-step change-isotopic sharp pulse analysis of the mechanism of methane partial oxidation to synthesis gas”, J. Phys. Chem.(B), 102, 230(1998).

  38. E.Ruckenstein, Y.H.Hu, “Reaction between silane and the lattice oxygen of transition metal oxides”, Langmuir 14, 5845(1998).

  39. Y.H.Hu, E.Ruckenstein, “Transient response analysis via a broadened pulse combined with a step change or an isotopic pulse. Application to CO2 reforming of methane over NiO/SiO2”, J. Phys. Chem.(B), 101, 7563(1997).

  40. Y.H.Hu, E.Ruckenstein, “CH4 TPR-MS of NiO/MgO solid solution catalysts”, Langmuir. 13,2055(1997).

  41. Y.H.Hu, E.Ruckenstein, “The catalytic reaction of NO over Cu supported on meso-carbon microbeads of ultra high surface area” , J. Catal. 172, 110(1997).

  42. E.Ruckenstein, Y.H.Hu, “The catalytic reduction of NO over Cu/C”, Ind. Eng. Chem. Res. 36, 2533(1997).

  43. Y.H.Hu, E.Ruckenstein, “The characterization of a highly effective NiO/MgO solid solution catalyst in the CO2 reforming of CH4”, Catal. Lett. 43, 71(1997).

  44. E.Ruckenstein, Y.H.Hu, “The effect of precursor and preparation conditions of MgO on the CO2 reforming of CH4 over NiO/MgO catalysts”, Appl. Catal., 154, 185(1997).

  45. Y.H.Hu, E.Ruckenstein, “Transient kinetic studies of partial oxidation of CH4”, J. Catal., 158, 260(1996).

  46. Y.H.Hu, E.Ruckenstein, “Temperature-programmed desorption of CO on NiO/MgO solid solution catalysts”, J. Catal., 163, 306(1996).

  47. E.Ruckenstein, Y.H.Hu,“Role of support in CO2 reforming of CH4 to syngas over Ni catalysts”, J. Catal., 162, 230(1996).

  48. Y.H.Hu, E.Ruckenstein, “An optimum NiO content in the CO2 reforming of CH4 with NiO/MgO solid solution catalysts”, Catal. Lett., 36, 145(1996).

  49. Y.H.Hu, H.L.Wan, K.R.Tsai, C.T.Au, “Computer simulation of derivative TPD”, Thermochimica Acta, 274, 289(1996).

  50. E.Ruckenstein, Y.H.Hu, “Interaction between Ni and La2O3 in Ni/ La2O3 catalysts prepared using different Ni precursors”, J. Catal., 161, 55(1996)

  51. C.T. Au, Y.H.Hu, H.L. Wan, “Methane activation over unsupported and La2O3-supported Cu and Ni catalysts”, Catal. Lett., 36, 159(1996).

  52. Y.H.Hu, E.Ruckenstein, “Pulse-MS study of the partial oxidation of methane over Ni/La2O3 catalyst”, Catal. Lett., 34, 41(1995).

  53. Y.H.Hu, E.Ruckenstein, “Near 100% CO selectivity in CH4 direct catalytic oxidation under unsteady state conditions”, Catal. Lett., 35, 265(1995).

  54. E.Ruckenstein, Y.H.Hu, “Carbon dioxide reforming of methane over nickel/alkaline earth metal oxide catalysts”, Appl. Catal.(A), 133, 149(1995).

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