Hongwu Xu

> 200 peer-reviewed publications in materials chemistry, physical chemistry, mineralogy, geochemistry and materials science including:

Strzelecki, A.C., Cockreham, C., Parker, S., Mann, S., Lhermitte, C., Wu, D., Guo, X., Monreal, M., Jackson, J., Mitchell, J., Boukhalfa, H., and Xu, H. (2024) A new methodology for measuring the enthalpies of mixing of molten salts using high temperature drop calorimetry. Review of Scientific Instruments, 95, 014103.

Strzelecki, A.C., Barman, S.K., Couper, S.C., Somayazulu, M., Ryu, Y.J., Carlsen, E., Guo, X., Benson, C.K., Chariton, S., Prakapenka, V., Euler, G.G., Boukhalfa, H., Phelan, W.A., Tobash, P.H., Arellano, D.C., Bauer, E.D., Hernandez, S.C., Mitchell, J.N., and Xu, H. (2024) High-pressure structural behavior and elastic properties of Ce2In and Ce3In: A combined in situ high pressure synchrotron X-ray diffraction and density functional theory study. Intermetallics, 165, 108134.

Strzelecki, A.C., Zhao, X., Estevenon, P., Xu, H., Dacheux, N., Ewing, R., and Guo, X. (2024) Crystal chemistry and thermodynamic properties of zircon structure type materials. American Mineralogist, 109 (2): 225–242.

Strzelecki, A.C., Wang, G., Hickam, S.M., Parker, S.S., Batrice, R., Jackson, J.M., Conroy, N.A., Mitchell, J.N., Andersson, D.A., Monreal, M.J., Boukhalfa, H., and Xu, H. (2023) In situ high temperature Raman spectroscopy of UCl3: a combined experimental and theoretical study. Inorganic Chemistry, 62, 45, 18724–18731.

Kalintsev, A., Guan, Q., Brugger, J., Migdisov, A., Etschmann, B., Ram, R., Liu, W., Mei, Y., Testemale, D., and Xu, H. (2023) Nature and coordination geometry of geologically relevant aqueous Uranium (VI) complexes up to 400 ºC: A review and new data. Journal of Hazardous Materials, 452, 131309.

Jimenez-Arroyo, A., Gabitov, R., Migdisov, A., Lui, J., Strzelecki, A., Zhao, X., Guo, X., Paul, V., Mlsna, T., Perez-Huerta, A., Caporuscio, F., Xu, H., and Roback, R. (2023) Uranium uptake by phosphate minerals at hydrothermal conditions. Chemical Geology, 634, 121581.

Strzelecki, A., Zhao, X., Baker, J., Estevenon, P., Barral, T., Mesbah, A., Popov, D., Chariton, S., Prakapenka, V., Ahmed, S., Yoo, C.-S., Dacheux, N., Xu, H., and Guo, X. (2023) High-pressure structural and thermodynamic properties of cerium orthosilicates (CeSiO4). The Journal of Physical Chemistry C, 127, 8, 4225–4238.  

Liu, M., Kang, Q., Xu, H., and White, J. (2023) 3D Thermal-chemical reactive transport modeling of reactions under geological repository conditions. Journal of Energy Engineering, 149 (2), 04022061. 

Goncharov, V.G., Liu, J., Strzelecki, A., van Veelen, A., Benmore, C., Boukhalfa, H., White, J.T., Xu, H., and Guo, X. (2023) Energetics of oxidation and formation of uranium monocarbide. Journal of Nuclear Materials, 581, 154446. 

Neil, C., Hjelm, R., Hawley, M., Watkins, E., Mao, Y., Pawar, R., and Xu, H. (2023) Small-angle neutron scattering investigation of oil recovery in mineralogically distinct Wolfcamp shale strata. Energy & Fuels, 37, 7, 4937–4947. 

Goncharov, V.G., Liu, J., van Veelen, A., Kriegsman, K., Benmore, C., Sun, C., Kelly, S., White, J.T., Xu, H., and Guo, X. (2022) Energetics of oxidation and formation of uranium mononitride. Journal of Nuclear Materials, 569, 153904.

Neil, C.W., Boukhalfa, H., Xu, H., Ware, D.S., Ortiz, J., Avendaño, S., Harp, D., Broome, S., Hjelm, R.P., Mao, Y., Roback, R., Brug, P., and Stauffer, P. (2022) Gas diffusion through variably-water-saturated zeolitic tuff: implications for transport following a subsurface nuclear event. Journal of Environmental Radioactivity, 250, 106905.

Cockreham, C., Goncharov, V., Hammond-Pereira, E., Reece, M., Strzelecki, A., Xu, W., Saunders, S., Xu, H., Guo, X., and Wu, D. (2022) Energetic stability and interfacial complexity of Ti3C2Tx MXenes synthesized with HF/HCl and CoF2/HCl as etching agents. ACS Applied Materials & Interfaces, 14, 36, 41542-41554.

Li, J., Goncharov, V., Strzelecki, A.C., Xu, H., Guo, X., and Zhang, Q. (2022) Energetic Systematics of Metal-Organic Frameworks: A Case Study of Al(III)-Trimesate MOF Isomers. Inorganic Chemistry, 61, 38, 15152-15165.

Nisbet, H., Migdisov, A., Goncharov, V., van Hinsberg, V., Williams-Jones, A., Xu, H., and Guo, X. (2022) The solubility and speciation of Nd in carbonate-bearing hydrothermal fluids up to 250 ˚C. Chemical Geology, 611, 121122.

Lee, S., Xu, H., and Xu, H. (2022) Reexamination of the structure of opal-A: A combined study of synchrotron X-ray diffraction and pair distribution function analysis. American Mineralogist, 107, 1353-1360.

Mehana, M., Santos, J.E., Neil, C., Carey, J.W., Guthrie, G., Hyman, J., Kang, Q., Karra, S., Sweeney, M., Xu, H., and Viswanathan, H. (2022) Shale fundamentals: Experimental and modeling insights. Energy Reports, 8, 11192-11205.

Strzelecki, A.C., Chariton, S., Cockreham, C.B., Pettes, M.T., Prakapenka, V., Chidester, B.A., Wu, D., Bradley, C.R., Euler, G., Guo, X., Boukhalfa, H., and Xu, H. (2022) Determination of P-V equation of state of a natural clinoptilolite using high pressure powder synchrotron X-ray diffraction. Physics and Chemistry of Minerals, 49, Article number: 45.

Strzelecki, A., Reece, M., Zhao, X., Yu, W., Benmore, C., Ren, Y., Alcorn, C., Migdisov, A., Xu, H., Guo, X. (2022) Crystal Chemistry and Thermodynamics of HREE (Er, Yb) Mixing in Xenotime Solid Solution. ACS Earth Space Chemistry, 6, 5, 1375-1389.

Strzelecki, A.C., Ren, Y., Chong, S., Riley, B.J., Xu, H., McCloy, J.S., and Guo, X. (2022) Structure and thermodynamics of calcium rare earth silicate oxyapatites, Ca2RE8(SiO4)6O2 (RE = Pr, Tb, Ho, Tm). Physics and Chemistry of Minerals, 49, Article number: 13.

Neil, C.W., Hjelm, R.P., Hawley, M.E., Watkins, E.B., Cockreham, C., Wu, D., Mao, Y., Cheshire, M., Burger, J., Fischer, T., Stokes, M.R., and Xu, H. (2022) Probing oil recovery in shale nanopores with small-angle and ultra-small-neutron scattering. International Journal of Coal Geology, 253, 103950.

Goncharov, V.G., Nisbet, H., Strzelecki, A., Benmore, C.J., Migdisov, A.A., Xu, H., and Guo, X. (2022) Energetics of hydroxylbastnäsite solid solutions, La1-xNdxCO3OH. Geochimica et Cosmochimica Acta, 330, 47-66.

Xu, H. (2021) Trisulfur radical anion S3•− - A major carrier for platinum in hydrothermal fluids. Proceedings of the National Academy of Sciences, 118 (36) e2112956118; https://doi.org/10.1073/pnas.2112956118.

Zhang, X., Reece, M., Cockreham, C., Sun, H., Wang, B., Xu, H., Sun, J., Guo, X., Su, H., Wang, Y., and Wu, D. (2021) Formation Energetics and Guest – Host Interactions of Molybdenum Carbide Confined in Zeolite Y. Industrial & Engineering Chemistry Research, 60, 38, 13991-14003.

Baker, J.L., White, J.T., Chen, A., Ulrich, T., Roback, R.C., and Xu, H. (2021) Heat capacity, entropy, formation energy and spin-fluctuation behavior of U3Si5 from 2.4 to 397.4 K. Journal of Nuclear Materials, 557, 153282.

Zhang, X., Strzelecki, A., Cockreham, C., Goncharov, V., Li, H., Sun, J., Sun, H., Guo, X., Xu, H., Ha, S., Wang, B., Wang, Y., and Wu, D. (2021) Thermodynamics of molybdenum trioxide (MoO3) encapsulated in zeolite Y. AIChE Journal, https://doi.org/10.1002/aic.17464.

Cockreham, C., Zhang, X., Eakin, J., Dewa, M., Li, H., Li, N., Sun, J., Ha, S., Ivory, C., Wang, Y., Xu, H., and Wu, Di (2021) Unveiling the interfacial and structural heterogeneity of Ti3C2Tx MXene etched with CoF2/HCl by integrated in situ thermal analysis. ACS Applied Materials & Interfaces, https://doi.org/10.1021/acsami.1c10021.

Lee, S., Xu, H., and Xu, H. (2021) Reexamination of the structure of opal-A: A combined study of synchrotron X-ray diffraction and pair distribution function analysis. American Mineralogist, DOI 10.2138/am-2022-8017.

Kalintsev, A., Migdisov, A., Alcorn, C., Baker, J., Brugger, J., Mayanovic, R.A., Akram, N., Guo, X., Xu, H., Boukhalfa, H., Caporuscio, F., Viswanathan, H., Jove-Colon, C., Wang, Y., Matteo, E., and Roback, R. (2021) Uranium carbonate complexes demonstrate drastic decrease in stability at elevated temperatures. NPJ Communications Chemistry, 4 (1), 1-8.

Marcial, J., Zhang, Y., Zhao, X., Xu, H., Mesbah, A., Nienhuis, E., Szenknect, S., Neuefeind, J., Lin, J., Qi, L., Migdisov, A., Ewing, R., Dacheux, N., McCloy, J., and Guo, X. (2021) Thermodynamic non-ideality and disorder heterogeneity in actinide silicate solid solutions. NPJ Materials Degradation 5, Article number: 34.

Gabitov, R.I., Aleksey Sadekov, A. Jamie Dyer, J., Alberto Perez-Huerta, A., Xu, H., and Migdisov, A. (2021) Sectoral and growth rate control on elemental uptake by individual calcite crystals. Chemical Geology, 585, 120589.

Nisbet, H., Migdisov, A.A., Williams-Jones, A.E., van Hinsberg, V.J., Xu, H., and Roback, R. (2021) The solubility of thorium in carbonate-bearing solutions at hydrothermal conditions. Geochimica et Cosmochimica Acta, https://doi.org/10.1016/j.gca.2021.04.035.

Migdisov, A., Nisbet, H., Li, N., White, J., Xu, H., Nelson, A., and Roback, R. (2021) Instability of U3Si2 in pressurized water media at elevated temperatures. Communications Chemistry, 4 (1), 1-6.

Lee, S., Xu, H., Xu, H., and Neuefeind, J. (2021) Crystal structure of moganite and its anisotropic atomic displacement parameters determined by synchrotron X-ray diffraction and X-ray/neutron pair distribution function analyses. Minerals, 11 (3), 272.

Lee, S., Xu, H., Wempner, J., Xu, H., and Wen, J. (2021) Discovery of Gold Nanoparticles in Marcellus Shale. ACS Earth and Space Chemistry, 5 (1), 129-135.

Gabitov, R., Migdisov, A. Nguyen, A., Van Hartesveldt, N., Perez-Huerta, A., Sadekov, A., Sauer, K.B., Baker, J., Paul, V., Caporuscio, F., Xu, H., and Roback, R. (2021) Uptake of uranium by carbonate crystallization from reduced and oxidized hydrothermal fluids. Chemical Geology, 564, 120054.

Goncharov, V.G., Wei, N., Lau, M.L., Ennaceur, S.M., Migliori, A., Xu, H., Long, M., and Guo, X. (2021) Elastic and thermodynamic properties of cerium doped yttrium aluminum garnets. Journal of the American Ceramic Society, https://doi.org/10.1111/jace.17679.

Strzelecki, A.C., Barral, T., Estevenon, P., Mesbah, A., Goncharov, V., Baker, J., Bai, J., Clavier, N., Szenknect, S., Migdisov, A., Xu, H., Ewing, R.C., Dacheux, N., and Guo, X. (2021) The role of water and hydroxyl groups in the structures of stetindite and coffinite, MSiO4 (M = Ce, U). Inorganic Chemistry, 60 (2), 718-735.

Liu, M., Kang, Q., and Xu, H. (2021) Grain-scale study of the grain boundary effect on UO2 fuel oxidation and fission gas release under reactor conditions. Chemical Engineering Science, 229, 116026.

Neil, C.W., Mehana, M., Hjelm, R.P., Hawley, M.E., Watkins, E.B., Mao, Y., Viswanathan, H., Kang, Q., and Xu, H. (2020) Reduced methane recovery at high pressure due to methane trapping in shale nanopores. Communications Earth & Environment, 1, Article number: 49.

Cockreham, C.B., Zhang, X., Lau, M.L., Long, M., Guo, X., Xu, H., and Wu, D. (2020) Thermal evolutions and resulting microstructural changes in kerogen-rich Marcellus shale. ACS Earth and Space Chemistry, 4 (12), 2461-2469.

Cockreham, C.B., Zhang, X., Goncharov, V.G., Guo, X., Xu, H., and Wu, D. (2020) Dehydration pathway of CoF2·4H2O revisited by integrated ex situ and in situ calorimetric and structural studies. The Journal of Physical Chemistry C, 124 (6), 3551-3556.

Dhakal, D., Akram, N., Mayanovic, R.A., Boukhalfa, H., and Xu, H. (2020) A study of uranyl (VI) chloride complexes in aqueous solutions under hydrothermal conditions using Raman spectroscopy. MRS Advances, 5, 2623-2629.

Neil, C.W., Hjelm, R.P., Hawley, M.E., Watkins, E.B., Cockreham, C., Wu, D., Mao, Y., Fischer, T.B., Stokes, M.R., and Xu, H. (2020) Small-angle neutron scattering (SANS) characterization of clay-and carbonate-rich shale at elevated pressures. Energy & Fuels, 34 (7), 8178-8185.

Subramani, T., Baker, J., Xu, H., and Navrotsky, A. (2020) Synthesis, characterization, and enthalpies of formation of uranium substituted zirconolites. ACS Earth and Space Chemistry, 4, 1878-1887.

Fong, A.Y., Kodera, Y., Murata, M., Imai, T., Xu, H., Dirmyer, M.R., Obrey, S.J., and Garay, J.E. (2020) Kinetics of densification/phase transformation and transport properties of Mg-Sn cubic/trigonal composites. Materials Science and Engineering: B, 259, 114607.

Enriquez, E., Wang, G., Sharma, Y., Sarpkaya, I., Wang, Q., Chen, D., Winner, N., Guo, X., Dunwoody, J., White, J., Nelson, A., Xu, H., Dowden, P., Batista, E., Htoon, H., Yang, P., Jia, Q., and Chen, A. (2020) Structural and optical properties of phase-pure UO2, α-U3O8, and α-UO3 epitaxial thin films grown by pulsed laser deposition. ACS Applied Materials & Interfaces, 12 (31), 35232-35241.

Zhang, X., Cockreham, C.B., Huang, Z., Sun, H., Yang, C., Marin-Flores, O.G., Wang, B., Guo, X., Ha, S., Xu, H., and Wu, D. (2020) Thermodynamics of water–cationic species–framework guest–host interactions within transition metal ion-exchanged mordenite relevant to selective anaerobic oxidation of methane to methanol. The Journal of Physical Chemistry Letters, 11 (12), 4774-4784.

Zhang, X., Cockreham, C.B., Yılmaz, E., Li, G., Li, N., Ha, S., Fu, L., Qi, J., Xu, H., and Wu, D. (2020) Energetic cost for being “redox-site-rich” in pseudocapacitive energy storage with nickel–aluminum layered double hydroxide materials. The Journal of Physical Chemistry Letters, 11 (9), 3745-3753.

Liu, M., Kang, Q., and Xu, H. (2019) Modelling uranium dioxide corrosion under repository conditions: A pore-scale study of the chemical and thermal processes. Corrosion Science, 167, 108530.

Nisbet, H., Migdissov, A.A., Williams-Jones, A.E., Xu, H., van Hinsberg, V.J., and Roback, R. (2019) Challenging the thorium-immobility paradigm. Scientific Reports, 9, Article number 17035.

Baker, J.L., Wang, G., Ulrich, T., White, J.T., Batista, E.R., Yang, P., Roback, R.C., Park, C., and Xu, H. (2020) High-pressure structural behavior and elastic properties of U3Si5: A combined synchrotron XRD and DFT study. Journal of Nuclear Materials, 540, 152373.

Xu, H. (2020) Probing nanopore structure and confined fluid behavior in shale matrix: A review on small-angle neutron scattering studies. International Journal of Coal Geology, 217, 103325.

Chung, C.-K., O’Quinn, E.C., Neuefeind, J.C., Fuentes, A.F., Xu, H., Lang, M.K., and Navrotsky, A. (2019) Thermodynamic and structural evolution of mechanically milled and swift heavy ion irradiated Er2Ti2O7 pyrochlore. Acta Materialia, 181, 309-317.

Cockreham, C.B., Zhang, X., Li, H., Hammond-Pereira, E., Sun, J., Saunders, S.R., Wang, Y., Xu, H., and Wu, D. (2019) Inhibition of AlF3·3H2O impurity formation in Ti3C2Tx MXene synthesis under a unique CoFx/HCl etching environment. ACS Applied Energy Materials, 2 (11), 8145-8152.

Dhakal, D., Mayanovic, R.A., Baker, J.L., Boukhalfa, H., Xu, H., Sun, C.-J. (2019) Design of a containment apparatus for synchrotron XAS measurements of radioactive fluid samples under high temperatures and pressures. Review of Scientific Instruments, 90, 083108.

X. Guo, D. Wu, S.V. Ushakov, T. Shvareva, H. Xu, and A. Navrotsky (2019) Energetics of hydration on uranium oxide and peroxide surfaces. Journal of Materials Research, DOI: https://doi.org/10.1557/jmr.2019.192.

Kalintsev, A., Migdissov, A., Xu, H., Roback, R.C., and Brugger, J. (2019) Uranyl speciation in sulfate-bearing hydrothermal solutions up to 250 ºC. Geochimica et Cosmochimica Acta, 267, 75-91.

Guo, X., Lü, X., White, J.T., Benmore, C.J., Nelson, A.T., Roback, R.C., and Xu, H. (2019) Bulk moduli and high pressure crystal structure of U3Si2. Journal of Nuclear Materials, 523, 135-142.

Chung, C.-K., Guo, X., Wang, G., Wilson, T.L., White, J.T., Nelson, A.T., Shelyug, A., Boukhalfa, H., Yang, P., Batista, E.R., Migdisov, A., Roback, R.C., Navrotsky, A., and Xu, H. (2019) Enthalpies of formation and phase stability relations of USi, U3Si5 and U3Si2. Journal of Nuclear Materials, 523, 101-110.

Guo, X., Boukhalfa, H., Mitchell, J.N., Ramos, M., Gaunt, A.J., Migliori, A., Roback, R., Navrotsky, A., and Xu, H. (2019) Sample seal-and-drop device and methodology for high temperature oxide melt solution calorimetric measurements of PuO2. Review of Scientific Instruments, 90, 044101, https://doi.org/10.1063/1.5093567.

Xu, H., Guo, X., Seaman, L., Harrison, A., Obrey, S., and Page, K. (2019) Thermal desulfurization of pyrite: An in situ high-T neutron diffraction and DTA-TGA study. Journal of Materials Research, DOI: https://doi.org/10.1557/jmr.2019.185.

Xu, H., Lü, X., Heaney, P.J., and Ren, Y. (2019) Structural behavior of a stuffed derivative of a-quartz, Mg0.5AlSiO4, at high temperature: an in situ synchrotron XRD study. Physics and Chemistry of Minerals, 46, 717-725.

Lee, S., Xu, H., Xu, H., Jacobs, R., and Morgan, D. (2019) Valleyite: A new magnetic mineral with the sodalite-type structure. American Mineralogist, 104, 1238-1245.

Migdisov, A., Guo, X., Nisbet, H., Xu, H., and Williams-Jones, A. (2019) Fractionation of REE, U, and Th in natural ore-forming hydrothermal systems: Thermodynamic modeling. The Journal of Chemical Thermodynamics, 128, 305-319.

Guo, X., White, J.T., Nelson, A.T., Migdisov, A., Roback, R., and Xu, H. (2018) Enthalpy of formation of U3Si2: A high-temperature drop calorimetry study. Journal of Nuclear Materials, 507, 44-49.

Nisbet, H., Migdisov, A., Xu, H., Guo, X., Boukhalfa, H., Roback, R., van Hinsberg, V., and Williams-Jones, A. (2018) An experimental study of the solubility and speciation of thorium in chloride-bearing aqueous solutions at temperatures up to 250 °C. Geochimica et Cosmochimica Acta, 239, 363-373.

Chung, C.-K., Lang, M.K., Xu, H., and Navrotsky, A. (2018) Thermodynamics of radiation induced amorphization and thermal annealing of Dy2Sn2O7 Pyrochlore. Acta Materialia, 155, 386-392.

Xu, H. (2018) Crystalline Wasteform Phases for 137Cs and 90Sr: Structure and Stability (Invited Book Chapter). Used Nuclear Fuel and Waste Management, World Scientific Publishing, pp 239-279.

Timofeev, A., Migdisov, A.A., Williams-Jones, A.E., Roback, R., Nelson, A., and Xu, H. (2018) Uranium transport in acidic brines under reducing conditions. Nature Communications, 9, Article number 1469, doi:10.1038/s41467-018-03564-7.

Hjelm, R., Taylor, M., Frash, L., Hawley, M., Ding, M., Xu, H., Barker, J.G., Olds, D., Heath, J., and Dewers, T. (2018) Flow-through compression cell for small-angle and ultra-small-angle neutron scattering measurements. Review of Scientific Instruments. 89, 055115; doi: 10.1063/1.5022678.

Migdisov, A.A., Guo, X., Xu, H., Williams-Jones, A.E., Sun, C.J., Vasyukova, O., Sugiyama, I., Fuchs, S., Pearce, K., and Roback, R. (2017) Hydrocarbons as ore fluids. Geochemical Perspectives Letters, 5, 47-52.

Guo, X. and Xu, H. (2017) Enthalpies of formation of polyhalite: A mineral relevant to salt repository. Journal of Chemical Thermodynamics, 114, 44-47.

Xu, H., Lee, S., and Xu, H. (2017) Luogufengite: A new nano-mineral of Fe2O3 polymorph with giant coercive field. American Mineralogist, 102, 711-719.

Lü, X., Yang, W., Jia, Q., and Xu, H. (2017) Pressure-Induced Dramatic Changes in Organic–Inorganic Halide Perovskites. Chemical Science, 8, 6764-6776.

Li, G., Sun, H., Xu, H., Guo, X., and Wu, D. (2017) Probing the Energetics of Molecule – Material Interactions at Interfaces and in Nanopores. Journal of Physical Chemistry C, 121, 26141-26154.

Xu, H., Guo, X., and Bai, J. (2017) Thermal behavior of polyhalite: A high-temperature synchrotron XRD study. Physics and Chemistry of Minerals, 44, 125-135.