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Fundamental and Computational Sciences Directorate

Staff information

Mary Hu

IO Prototype & Pilot
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-98
Richland, WA 99352

PNNL Publications


  • Deng X, MY Hu, X Wei, W Wang, Z Chen, J Liu, and JZ Hu. 2015. "Natural Abundance 17O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes." Journal of Power Sources 285:146-155.  doi:10.1016/j.jpowsour.2015.03.091
  • Hu JZ, MY Hu, Z Zhao, S Xu, A Vjunov, H Shi, DM Camaioni, CHF Peden, and JA Lercher. 2015. "Sealed Rotors for In Situ High Temperature High Pressure MAS NMR." Chemical Communications 51(70):13458-13461.  doi:10.1039/c5cc03910j
  • Hu JZ, S Xu, W Li, MY Hu, X Deng, DA Dixon, M Vasiliu, R Craciun, Y Wang, X Bao, and CHF Peden. 2015. "Investigation of the Structure and Active Sites of TiO2 Nanorod Supported VOx Catalysts by High-Field and Fast-Spinning 51V MAS NMR." ACS Catalysis 5(7):3945-3952.  doi:10.1021/acscatal.5b00286
  • Hu JZ, X Wang, J Feng, BJM Webb-Robertson, KM Waters, SC Tilton, JG Pounds, RA Corley, M Liu, and MY Hu. 2015. "Metabolite Signatures in Hydrophilic Extracts of Mouse Lungs Exposed to Cigarette Smoke Revealed By 1H NMR Metabolomics Investigation." Metabolomics 5(2):Article No. 143.  doi:10.4172/2153-0769.1000143
  • Liu TL, JT Cox, D Hu, X Deng, JZ Hu, MY Hu, J Xiao, Y Shao, K Tang, and J Liu. 2015. "A Fundamental Study on the [(µ-Cl)3Mg2(THF)6]+ Dimer Electrolytes for Rechargeable Mg Batteries." Chemical Communications 51(12):2312-2315.  doi:10.1039/c4cc07621d
  • Tang W, Y Liu, C Peng, MY Hu, X Deng, M Lin, JZ Hu, and KP Loh. 2015. "Probing Lithium Germanide Phase Evolution and Structural Change in a Germanium-in-Carbon Nanotube Energy Storage System." Journal of the American Chemical Society 137(7):2600-7.  doi:10.1021/ja5116259
  • Wei X, L Cosimbescu, W Xu, JZ Hu, M Vijayakumar, J Feng, MY Hu, X Deng, J Xiao, J Liu, VL Sprenkle, and W Wang. 2015. "Towards High-Performance Nonaqueous Redox Flow Electrolyte through Ionic Modification of Active Species." Advanced Energy Materials 5(1):Article No. 1400678.  doi:10.1002/aenm.201400678
  • Xiao J, JZ Hu, H Chen, M Vijayakumar, J Zheng, H Pan, ED Walter, MY Hu, X Deng, J Feng, BY Liaw, M Gu, Z Deng, D Lu, S Xu, CM Wang, and J Liu. 2015. "Following the Transient Reactions in Lithium-Sulfur Batteries Using In an In Situ Nuclear Magnetic Resonance Technique." Nano Letters 15(5):3309-3316.  doi:10.1021/acs.nanolett.5b00521
  • Xu S, ED Walter, Z Zhao, MY Hu, X Han, JZ Hu, and X Bao. 2015. "Dynamic Structural Changes of SiO2 Supported Pt-Ni Bimetallic Catalysts over Redox Treatments Revealed by NMR and EPR." Journal of Physical Chemistry C 119(36):21219-21226.  doi:10.1021/acs.jpcc.5b06344
  • Zhao Z, S Xu, MY Hu, X Bao, CHF Peden, and JZ Hu. 2015. "Investigation of Aluminum Site Changes of Dehydrated Zeolite H-Beta during a Rehydration Process by High Field Solid State NMR." Journal of Physical Chemistry C 119(3):1410-1417.  doi:10.1021/jp509982r


  • Chen X, X Li, D Mei, J Feng, MY Hu, JZ Hu, MH Engelhard, J Zheng, W Xu, J Xiao, J Liu, and J Zhang. 2014. "Reduction Mechanism of Fluoroethylene Carbonate for Stable Solid-Electrolyte Interphase Film on Silicon Anode." ChemSusChem 7(2):549-554.  doi:10.1002/cssc.201300770
  • Qafoku O, JZ Hu, NJ Hess, MY Hu, ES Ilton, J Feng, BW Arey, and AR Felmy. 2014. "Formation of Submicron Magnesite during Reaction of Natural Forsterite in H2O-Saturated Supercritical CO2." Geochimica et Cosmochimica Acta 134:197-209.  doi:10.1016/j.gca.2013.09.024
  • Shao Y, NN Rajput, JZ Hu, MY Hu, TL Liu, Z Wei, M Gu, X Deng, S Xu, KS Han, J Wang, Z Nie, G Li, K Zavadil, J Xiao, CM Wang, WA Henderson, J Zhang, Y Wang, KT Mueller, KA Persson, and J Liu. 2014. "Nanocomposite polymer electrolyte for rechargeable magnesium batteries." Nano Energy 2015(12):750-759.  doi:10.1016/j.nanoen.2014.12.028
  • Vjunov A, MY Hu, J Feng, DM Camaioni, D Mei, JZ Hu, C Zhao, and JA Lercher. 2014. "Following Solid-Acid-Catalyzed Reactions by MAS NMR Spectroscopy in Liquid Phase -Zeolite-Catalyzed Conversion of Cyclohexanol in Water." Angewandte Chemie International Edition 53(2):479-482.  doi:10.1002/anie.201306673
  • Wang X, MY Hu, J Feng, M Liu, and JZ Hu. 2014. "1H NMR Metabolomics Study of Metastatic Melanoma in C57BL/6J Mouse Spleen." Metabolomics 10(6):1129-1144.  doi:10.1007/s11306-014-0652-z
  • Wang X, MY Hu, M Liu, and JZ Hu. 2014. "Metastatic Melanoma Induced Metabolic Changes in C57BL/6J Mouse Stomach Measured by 1H NMR Spectroscopy." Metabolomics 4(2):135.  doi:10.4172/2153-0769.1000135
  • Xiao J, P Meduri, H Chen, Z Wang, F Gao, JZ Hu, J Feng, MY Hu, S Dai, S Brown, JL Adcock, Z Deng, J Liu, GL Graff, IA Aksay, and J Zhang. 2014. "Energetics of Defects on Graphene through Fluorination." ChemSusChem 7(5):1295-1300.  doi:10.1002/cssc.201301066


  • Felmy AR, O Qafoku, BW Arey, JZ Hu, MY Hu, HT Schaef, ES Ilton, NJ Hess, CI Pearce, J Feng, and KM Rosso. 2012. "Reaction of Water-Saturated Supercritical CO2 with Forsterite: Evidence for Magnesite Formation at Low Temperatures." Geochimica et Cosmochimica Acta 91:271-282.  doi:10.1016/j.gca.2012.05.026
  • Hu MY, J Feng, DM Camaioni, RVF Turcu, CHF Peden, JA Lercher, and JZ Hu. 2012. "IN-SITU MAGIC ANGLE SPINNING NMR INVESTIGATIONS ON CATALYTIC CONVERSION OF BIOGENIC MOLECULES IN THE PRESENCE OF AQUEOUS WATER." In Proceedings of the 244th American Chemical Society National Meeting and Exposition, Division of Petroleum Chemistry, August 19-23, 2012, Philadelphia, PA, vol. 57, no. 2, pp. 215-217.  American Chemical Society, Washington DC. 
  • She X, JH Kwak, J Sun, JZ Hu, MY Hu, CM Wang, CHF Peden, and Y Wang. 2012. "Highly Dispersed and Active ReOx on Alumina-Modified SBA-15 Silica for 2-Butanol Dehydration." ACS Catalysis 2(6):1020-1026.  doi:10.1021/cs2006444
  • Xu W, JZ Hu, MH Engelhard, SA Towne, JS Hardy, J Xiao, J Feng, MY Hu, J Zhang, F Ding, ME Gross, and J Zhang. 2012. "The Stability of Organic Solvents and Carbon Electrode in Nonaqueous Li-O2 Batteries." Journal of Power Sources 215:240-247.  doi:10.1016/j.jpowsour.2012.05.021


  • Hu JZ, JH Kwak, Y Wang, MY Hu, RVF Turcu, and CHF Peden. 2011. "Characterizing Surface Acidic Sites in Mesoporous-Silica-Supported Tungsten Oxide Catalysts Using Solid State NMR and Quantum Chemistry Calculations." Journal of Physical Chemistry C 115(47):23354-23362.  doi:10.1021/jp203813f

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