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Fundamental and Computational Sciences Directorate

Staff information

Mary Hu

BioStructure & Function
Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-98
Richland, WA 99352

PNNL Publications

2018

  • Hu J.Z., N. Rajput, C. Wan, Y. Shao, X. Deng, N.R. Jaegers, and M.Y. Hu, et al. 2018. "25Mg NMR and Computational Modeling Studies of the Solvation Structures and Molecular Dynamics in Magnesium Based Liquid Electrolytes." Nano Energy 46. PNNL-SA-130126. doi:10.1016/j.nanoen.2018.01.051

2017

  • Hu J.Z., C. Wan, A. Vjunov, M. Wang, Z. Zhao, M.Y. Hu, and D.M. Camaioni, et al. 2017. "Al MAS NMR Studies of HBEA Zeolite at Low to High Magnetic Fields." Journal of Physical Chemistry C 121, no. 23:12849-12854. PNNL-SA-125685. doi:10.1021/acs.jpcc.7b03517
  • Hu J.Z., X. Zhang, N.R. Jaegers, C. Wan, T.R. Graham, M.Y. Hu, and C.I. Pearce, et al. 2017. "Transitions in Al Coordination During Gibbsite Crystallization Using High-Field 27Al and 23Na MAS NMR Spectroscopy." Journal of Physical Chemistry C 121, no. 49:27555-27565. PNNL-SA-130259. doi:10.1021/acs.jpcc.7b10424
  • Jaegers N.R., C. Wan, M.Y. Hu, M. Vasiliu, D.A. Dixon, E.D. Walter, and I. Wachs, et al. 2017. "Investigation of silica-supported vanadium oxide catalysts by high-field 51V Magic Angle Spinning NMR." Journal of Physical Chemistry C 121, no. 11:6246-6254. PNNL-SA-124184. doi:10.1021/acs.jpcc.7b01658
  • Wan C., S. Xu, M.Y. Hu, R. Cao, J. Qian, Z. Qin, and J. Liu, et al. 2017. "Multinuclear NMR Study of the Solid Electrolyte Interface Formed in Lithium Metal Batteries." ACS Applied Materials & Interfaces 9, no. 17:14741-14748. PNNL-SA-122289. doi:10.1021/acsami.6b15383
  • Xiao X., M.Y. Hu, X. Zhang, and J.Z. Hu. 2017. "NMR-based Metabolomics Analysis of Liver from C57BL/6 Mouse Exposed to Ionizing Radiation." Radiation Research 188, no. 1:44-55. PNNL-SA-120056. doi:10.1667/RR14602.1
  • Zhao Z., H. Shi, C. Wan, M.Y. Hu, Y. Liu, D. Mei, and D.M. Camaioni, et al. 2017. "“On the Mechanism of Phenol Alkylation in Zeolite H-BEA Using In Situ Solid-State NMR Spectroscopy”." Journal of the American Chemical Society 139, no. 27:9178-9185. PNNL-SA-122818. doi:10.1021/jacs.7b02153

2016

  • Deng X., M.Y. Hu, X. Wei, W. Wang, K.T. Mueller, Z. Chen, and J.Z. Hu. 2016. "Nuclear Magnetic Resonance Studies of the Solvation Structures of a High-Performance Nonaqueous Redox Flow Electrolyte." Journal of Power Sources 308. PNNL-SA-113232. doi:10.1016/j.jpowsour.2015.12.005
  • Hu J.Z., S. Xu, J. Kwak, M.Y. Hu, C. Wan, Z. Zhao, and J. Szanyi, et al. 2016. "High Field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts." Journal of Catalysis 336, no. 1:85-93. PNNL-SA-106119. doi:10.1016/j.jcat.2016.01.006
  • Hu J.Z., S. Xu, J. Kwak, M.Y. Hu, C. Wan, Z. Zhao, and J. Szanyi, et al. 2016. "High field 27Al MAS NMR and TPD studies of active sites in ethanol dehydration using thermally treated transitional aluminas as catalysts." Journal of Catalysis 336. PNNL-SA-110979. doi:10.1016/j.jcat.2016.01.006
  • Hu J.Z., X. Xiao, and M.Y. Hu. 2016. "NMR Metabolomics in Ionizing Radiation." Clinics in Oncology 1. PNNL-SA-120277.
  • Hu J.Z., Z. Zhao, M.Y. Hu, J. Feng, X. Deng, X. Chen, and W. Xu, et al. 2016. "In situ 7Li and 133Cs Nuclear Magnetic Resonance Investigations on the Role of Cs+ Additive in Lithium-Metal Deposition Process." Journal of Power Sources 304. PNNL-SA-110396. doi:10.1016/j.jpowsour.2015.10.067
  • Hu M.Y., X. Deng, S. Thanthiriwatte, V.E. Jackson, C. Wan, O. Qafoku, and D.A. Dixon, et al. 2016. "In Situ Natural Abundance 17O and 25Mg NMR Investigation of Aqueous Mg(OH)2 Dissolution in the Presence of Supercritical CO2." Environmental Science & Technology 50, no. 22:12373-12384. PNNL-SA-118648. doi:10.1021/acs.est.6b03443
  • Tang W., B. Goh, M.Y. Hu, C. Wan, B. Tian, X. Deng, and C. Peng, et al. 2016. "In Situ Raman and Nuclear Magnetic Resonance Study of Trapped Lithium in the Solid Electrolyte Interface of Reduced Graphene Oxide." Journal of Physical Chemistry C 120, no. 5:2600-2608. PNNL-ACT-SA-10132. doi:10.1021/acs.jpcc.5b12551
  • Wan C., M.Y. Hu, N.R. Jaegers, D. Shi, H. Wang, F. Gao, and Z. Qin, et al. 2016. "Investigating the Surface Structure of ?-Al2O3 Supported WOx Catalysts by High-Field 27Al MAS NMR and Electronic Structure Calculations." Journal of Physical Chemistry C 120, no. 40:23093-23103. PNNL-SA-119580. doi:10.1021/acs.jpcc.6b09060
  • Wan C., M.Y. Hu, O. Borodin, J. Qian, Z. Qin, J. Zhang, and J.Z. Hu. 2016. "Natural Abundance 17O, 6Li NMR and Molecular Modeling Studies of the Solvation Structures of Lithium bis(fluorosulfonyl)imide/1,2-dimethoxyethane Liquid Electrolytes." Journal of Power Sources 307. PNNL-SA-113087. doi:10.1016/j.jpowsour.2015.12.120
  • Xiao X., M.Y. Hu, M. Liu, and J.Z. Hu. 2016. "1H NMR Metabolomics Study of Spleen from C57BL/6 Mice Exposed to Gamma Radiation." Metabolomics 6, no. 1:Article No. 165. PNNL-SA-119978. doi:10.4172/2153-0769.1000165
  • Xu S., Z. Zhao, M.Y. Hu, X. Han, J.Z. Hu, and X. Bao. 2016. "Investigation Of Water Assisted Phase Transformation Process From AlPO4-5 to AlPO4-tridymite." Microporous and Mesoporous Materials 223. PNNL-SA-115503. doi:10.1016/j.micromeso.2015.10.039
  • Zhao Z., S. Xu, M.Y. Hu, X. Bao, and J.Z. Hu. 2016. "In situ High Temperature High Pressure MAS NMR Study on the Crystallization of AlPO4-5." Journal of Physical Chemistry C 120, no. 3:1701-1708. PNNL-SA-110249. doi:10.1021/acs.jpcc.5b11294

2015

  • Deng X., M.Y. Hu, X. Wei, W. Wang, Z. Chen, J. Liu, and J.Z. Hu. 2015. "Natural Abundance 17O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes." Journal of Power Sources 285. PNNL-SA-105759. doi:10.1016/j.jpowsour.2015.03.091
  • Hu J.Z., M.Y. Hu, Z. Zhao, S. Xu, A. Vjunov, H. Shi, and D.M. Camaioni, et al. 2015. "Sealed Rotors for In Situ High Temperature High Pressure MAS NMR." Chemical Communications 51, no. 70:13458-13461. PNNL-SA-110035. doi:10.1039/c5cc03910j
  • Hu J.Z., S. Xu, W. Li, M.Y. Hu, X. Deng, D.A. Dixon, and M. Vasiliu, et al. 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, no. 7:3945-3952. PNNL-SA-107998. doi:10.1021/acscatal.5b00286
  • Hu J.Z., X. Wang, J. Feng, B.M. Webb-Robertson, K.M. Waters, S.C. Tilton, and J.G. Pounds, et al. 2015. "Metabolite Signatures in Hydrophilic Extracts of Mouse Lungs Exposed to Cigarette Smoke Revealed By 1H NMR Metabolomics Investigation." Metabolomics 5, no. 2:Article No. 143. PNNL-SA-102290. doi:10.4172/2153-0769.1000143
  • Liu T.L., J.T. Cox, D. Hu, X. Deng, J.Z. Hu, M.Y. Hu, and J. Xiao, et al. 2015. "A Fundamental Study on the [(µ-Cl)3Mg2(THF)6]+ Dimer Electrolytes for Rechargeable Mg Batteries." Chemical Communications 51, no. 12:2312-2315. PNNL-SA-104532. doi:10.1039/c4cc07621d
  • Tang W., Y. Liu, C. Peng, M.Y. Hu, X. Deng, M. Lin, and J.Z. Hu, et al. 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, no. 7:2600-7. PNNL-ACT-SA-10046. doi:10.1021/ja5116259
  • Wei X., L. Cosimbescu, W. Xu, J.Z. Hu, M. Vijayakumar, J. Feng, and M.Y. Hu, et al. 2015. "Towards High-Performance Nonaqueous Redox Flow Electrolyte through Ionic Modification of Active Species." Advanced Energy Materials 5, no. 1:Article No. 1400678. PNNL-SA-97506. doi:10.1002/aenm.201400678
  • Xiao J., J.Z. Hu, H. Chen, M. Vijayakumar, J. Zheng, H. Pan, and E.D. Walter, et al. 2015. "Following the Transient Reactions in Lithium-Sulfur Batteries Using In an In Situ Nuclear Magnetic Resonance Technique." Nano Letters 15, no. 5:3309-3316. PNNL-SA-101779. doi:10.1021/acs.nanolett.5b00521
  • Xu S., E.D. Walter, Z. Zhao, M.Y. Hu, X. Han, J.Z. 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, no. 36:21219-21226. PNNL-SA-112670. doi:10.1021/acs.jpcc.5b06344
  • Zhao Z., S. Xu, M.Y. Hu, X. Bao, C.H. Peden, and J.Z. 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, no. 3:1410-1417. PNNL-SA-105728. doi:10.1021/jp509982r

2014

  • Chen X., X. Li, D. Mei, J. Feng, M.Y. Hu, J.Z. Hu, and M.H. Engelhard, et al. 2014. "Reduction Mechanism of Fluoroethylene Carbonate for Stable Solid-Electrolyte Interphase Film on Silicon Anode." ChemSusChem 7, no. 2:549-554. PNNL-SA-97198. doi:10.1002/cssc.201300770
  • Qafoku O., J.Z. Hu, N.J. Hess, M.Y. Hu, E.S. Ilton, J. Feng, and B.W. Arey, et al. 2014. "Formation of Submicron Magnesite during Reaction of Natural Forsterite in H2O-Saturated Supercritical CO2." Geochimica et Cosmochimica Acta 134. PNNL-SA-93839. doi:10.1016/j.gca.2013.09.024
  • Shao Y., N. Rajput, J.Z. Hu, M.Y. Hu, T.L. Liu, Z. Wei, and M. Gu, et al. 2014. "Nanocomposite polymer electrolyte for rechargeable magnesium batteries." Nano Energy 2015, no. 12:750-759. PNNL-SA-103424. doi:10.1016/j.nanoen.2014.12.028
  • Vjunov A., M.Y. Hu, J. Feng, D.M. Camaioni, D. Mei, J.Z. Hu, and C. Zhao, et al. 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, no. 2:479-482. PNNL-SA-96916. doi:10.1002/anie.201306673
  • Wang X., M.Y. Hu, J. Feng, M. Liu, and J.Z. Hu. 2014. "1H NMR Metabolomics Study of Metastatic Melanoma in C57BL/6J Mouse Spleen." Metabolomics 10, no. 6:1129-1144. PNNL-SA-101943. doi:10.1007/s11306-014-0652-z
  • Wang X., M.Y. Hu, M. Liu, and J.Z. Hu. 2014. "Metastatic Melanoma Induced Metabolic Changes in C57BL/6J Mouse Stomach Measured by 1H NMR Spectroscopy." Metabolomics 4, no. 2:135. PNNL-SA-105912. doi:10.4172/2153-0769.1000135
  • Xiao J., P. Meduri, H. Chen, Z. Wang, F. Gao, J.Z. Hu, and J. Feng, et al. 2014. "Energetics of Defects on Graphene through Fluorination." ChemSusChem 7, no. 5:1295-1300. PNNL-SA-92043. doi:10.1002/cssc.201301066

2012

  • Felmy A.R., O. Qafoku, B.W. Arey, J.Z. Hu, M.Y. Hu, H.T. Schaef, and E.S. Ilton, et al. 2012. "Reaction of Water-Saturated Supercritical CO2 with Forsterite: Evidence for Magnesite Formation at Low Temperatures." Geochimica et Cosmochimica Acta 91. PNNL-SA-82433. doi:10.1016/j.gca.2012.05.026
  • Hu M.Y., J. Feng, D.M. Camaioni, R.V. Turcu, C.H. Peden, J.A. Lercher, and J.Z. 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, 57, 215-217. Washington Dc:American Chemical Society. PNNL-SA-92029.
  • She X., J. Kwak, J. Sun, J.Z. Hu, M.Y. Hu, C.M. Wang, and C.H. Peden, et al. 2012. "Highly Dispersed and Active ReOx on Alumina-Modified SBA-15 Silica for 2-Butanol Dehydration." ACS Catalysis 2, no. 6:1020-1026. PNNL-SA-84678. doi:10.1021/cs2006444
  • Xu W., J.Z. Hu, M.H. Engelhard, S.A. Towne, J.S. Hardy, J. Xiao, and J. Feng, et al. 2012. "The Stability of Organic Solvents and Carbon Electrode in Nonaqueous Li-O2 Batteries." Journal of Power Sources 215. PNNL-SA-85748. doi:10.1016/j.jpowsour.2012.05.021

2011

  • Hu J.Z., J. Kwak, Y. Wang, M.Y. Hu, R.V. Turcu, and C.H. 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, no. 47:23354-23362. PNNL-SA-71974. doi:10.1021/jp203813f

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