Multinuclear NMR Studies of and Earth and Energy Systems
EMSL Project ID
50091
Abstract
A team of researchers at PNNL carries out studies that utilize high-resolution nuclear magnetic resonance (NMR) spectroscopy in areas of national need for Basic Energy Sciences (BES). The research projects include scientific explorations in energy, materials, synthesis, and geochemical sciences. The proposed research on the 600 MHz wide-bore NMR spectrometer ("Tumalo") will advance and accelerate the research goals of multiple BES projects at PNNL and leverages advances already made by members of the team in the development and use of unique NMR probes and experiments at EMSL. A number of investigations with this instrument will be in situ studies that are at the forefront of research efforts probing atomic and molecular structure and dynamics under conditions relevant to real-world applications in areas important to DOE BES and the nation. The four BES programs that will be primary users of this spectrometer are the Joint Center for Energy Storage Research (JCESR; Karl Mueller, PNNL Lead PI), an Energy Innovation Hub supported by BES/MSE and led by Argonne National Laboratory (George Crabtree, PI); Multifunctional Catalysis to Synthesize and Utilize Energy Carriers (Johannes Lercher, PI) supported by the BES/CSGB Catalysis Science Program; Molecular Mechanisms of Interfacial Reactivity in Near Surface and Extreme Geochemical Environments (Kevin Rosso, PI) supported by the BES/CSGB Geosciences Program; and Molecularly Organized Nanostructural Materials (Jun Liu, PI) supported by BES/MSE Synthesis and Processing Science Program.
Project Details
Start Date
2017-10-23
End Date
2020-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Co-Investigator(s)
Team Members
Related Publications
Chen Y., N.R. Jaegers, H. Wang, K. Han, J.Z. Hu, K.T. Mueller, and V. Murugesan. 2020. "Role of Solvent Rearrangement on Mg2+ Solvation Structures in Dimethoxyethane Solutions Using Multimodal NMR Analysis." Journal of Physical Chemistry Letters 11, no. 15:6443-6449. PNNL-SA-153110. doi:10.1021/acs.jpclett.0c01447
Chen Y., N.R. Jaegers, K. Han, H. Wang, R.P. Young, G. Agarwal, and A.S. Lipton, et al. 2020. "Probing Conformational Evolution and Associated Dynamics of Mg(N(SO2CF3)2)2 · Dimethoxyethane Adduct Using Solid-state 19F and 1H NMR." Journal of Physical Chemistry C 124, no. 9:4999-5008. PNNL-SA-148880. doi:10.1021/acs.jpcc.9b10212
Dembowski M., M.P. Prange, M. Pouvreau, T.R. Graham, M.E. Bowden, A.T. N'Diaye, and G.K. Schenter, et al. 2020. "Inference of Principal Species in Caustic Aluminate Solutions Through Solid-State Spectroscopic Characterization." Dalton Transactions 49, no. 18:5869-5880. PNNL-SA-150681. doi:10.1039/d0dt00229a
Dembowski M., M. Snyder, C.H. Delegard, J.G. Reynolds, T.R. Graham, H. Wang, and I.I. Leavy, et al. 2020. "Ion-ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (a-Al(OH)3) with sodium nitrite/nitrate." Physical Chemistry Chemical Physics. PCCP 22, no. 8:4368-4378. PNNL-SA-142835. doi:10.1039/C9CP05856G
Graham T.R., M. Dembowski, J.Z. Hu, N.R. Jaegers, X. Zhang, S.B. Clark, and C.I. Pearce, et al. 2020. "Intermediate Species in the Crystallization of Sodium Aluminate Hydroxy Hydrates." Journal of Physical Chemistry C 124, no. 23:12337-12345. PNNL-SA-150266. doi:10.1021/acs.jpcc.0c00205
Graham T.R., R.M. Gorniak, M. Dembowski, X. Zhang, S.B. Clark, C.I. Pearce, and A.E. Clark, et al. 2020. "Solid-State Recrystallization Pathways of Sodium Aluminate Hydroxy Hydrates." Inorganic Chemistry 59, no. 10:6857-6865. PNNL-SA-150728. doi:10.1021/acs.inorgchem.0c00258
Huestis P.I., T.R. Graham, S.T. Mergelsberg, and J.A. LaVerne. 2020. "Identification of Radiolytically-Active Thermal Transition Phases in Boehmite." Thermochimica Acta 689. PNNL-SA-151694. doi:10.1016/j.tca.2020.178611
Li Y., I.A. Murphy, Y. Chen, F. Li, X. Wang, S. Wang, and D. Hubble, et al. 2019. "A multi-functional interface derived from thiol-modified mesoporous carbon in lithium-sulfur batteries." Journal of Materials Chemistry A 7, no. 21:13372-13381. PNNL-SA-144283. doi:10.1039/c9ta02743b
Mehta H.S., Y. Chen, J.A. Sears, E.D. Walter, M. Campos, J. Kothandaraman, and D.J. Heldebrant, et al. 2019. "A Novel High-Temperature MAS Probe with Optimized Temperature Gradient across Sample Rotor for In-situ Monitoring of High-Temperature High-Pressure Chemical Reactions." Solid State Nuclear Magnetic Resonance 102. PNNL-SA-143153. doi:10.1016/j.ssnmr.2019.06.003
Wang S., X. Zhang, T.R. Graham, H. Zhang, C.I. Pearce, Z. Wang, and S.B. Clark, et al. 2020. "Two-Step Route to Size and Shape Controlled Gibbsite Nanoplates and the Crystal Growth Mechanism." CrystEngComm 22, no. 15:2555-2565. PNNL-SA-150680. doi:10.1039/D0CE00114G