Pulsed Field Gradient Nuclear Magnetic Resonance and Diffusion Analysis in Battery Research

Han, Kee Sung; Bazak, J. David; Chen, Ying; Graham, Trent R.; Washton, Nancy M.; Hu, Jian Zhi; Murugesan, Vijayakumar; Mueller, Karl T.

doi:10.1021/acs.chemmater.1c02891

Pulsed Field Gradient Nuclear Magnetic Resonance and Diffusion Analysis in Battery Research

Journal Article · 01 November 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c02891· OSTI ID:1988960

Han, Kee Sung; Bazak, J. David; Chen, Ying; Graham, Trent R.; Washton, Nancy M.; Hu, Jian Zhi; Murugesan, Vijayakumar; Mueller, Karl T.

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES)(United States Department of Energy (DOE))

OSTI ID:: 1988960

Journal Information:: Chemistry of Materials, Vol. 33, Issue 22

Country of Publication:: United States

Language:: English

References (146)

Effects of Diffusion on Free Precession in Nuclear Magnetic Resonance Experiments Carr, H. Y.; Purcell, E. M. Physical Review, Vol. 94, Issue 3 https://doi.org/10.1103/PhysRev.94.630	journal	May 1954
Spin Diffusion Measurements: Spin Echoes in the Presence of a Time‐Dependent Field Gradient Stejskal, E. O.; Tanner, J. E. The Journal of Chemical Physics, Vol. 42, Issue 1 https://doi.org/10.1063/1.1695690	journal	January 1965
Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications Johnson, C. S. Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 34, Issue 3-4 https://doi.org/10.1016/S0079-6565(99)00003-5	journal	May 1999
New insights for accurate chemically specific measurements of slow diffusing molecules Hou, Jianbo; Madsen, Louis A. The Journal of Chemical Physics, Vol. 138, Issue 5 https://doi.org/10.1063/1.4789923	journal	February 2013
Suppression of Convection Artifacts in Stimulated-Echo Diffusion Experiments. Double-Stimulated-Echo Experiments Jerschow, Alexej; Müller, Norbert Journal of Magnetic Resonance, Vol. 125, Issue 2 https://doi.org/10.1006/jmre.1997.1123	journal	April 1997
Transport Properties in Ionic Liquids and Ionic Liquid Mixtures: The Challenges of NMR Pulsed Field Gradient Diffusion Measurements Annat, Gary; MacFarlane, Douglas R.; Forsyth, Maria The Journal of Physical Chemistry B, Vol. 111, Issue 30 https://doi.org/10.1021/jp072737h	journal	July 2007
Background gradient suppression in stimulated echo NMR diffusion studies using magic pulsed field gradient ratios Galvosas, Petrik; Stallmach, Frank; Kärger, Jörg Journal of Magnetic Resonance, Vol. 166, Issue 2 https://doi.org/10.1016/j.jmr.2003.09.012	journal	February 2004
Pulsed Gradient Spin−Echo (PGSE) Diffusion and ¹ H, ¹⁹ F Heteronuclear Overhauser Spectroscopy (HOESY) NMR Methods in Inorganic and Organometallic Chemistry: Something Old and Something New Pregosin, Paul S.; Kumar, P. G. Anil; Fernández, Ignacio Chemical Reviews, Vol. 105, Issue 8 https://doi.org/10.1021/cr0406716	journal	August 2005
Pulsed-field gradient nuclear magnetic resonance as a tool for studying translational diffusion: Part 1. Basic theory Price, William S. Concepts in Magnetic Resonance, Vol. 9, Issue 5 https://doi.org/10.1002/(SICI)1099-0534(1997)9:5<299::AID-CMR2>3.0.CO;2-U	journal	January 1997
Pulsed-field gradient nuclear magnetic resonance as a tool for studying translational diffusion: Part II. Experimental aspects Price, William S. Concepts in Magnetic Resonance, Vol. 10, Issue 4 https://doi.org/10.1002/(SICI)1099-0534(1998)10:4<197::AID-CMR1>3.0.CO;2-S	journal	January 1998
Suppression of background gradients in (B0 gradient-based) NMR diffusion experiments Zheng, Gang; Price, William S. Concepts in Magnetic Resonance Part A, Vol. 30A, Issue 5 https://doi.org/10.1002/cmr.a.20092	journal	January 2007
Pulsed-field gradient nuclear magnetic resonance measurements (PFG NMR) for diffusion ordered spectroscopy (DOSY) mapping Pagès, G.; Gilard, V.; Martino, R. The Analyst, Vol. 142, Issue 20 https://doi.org/10.1039/C7AN01031A	journal	January 2017
Distribution of 1-Butyl-3-methylimidazolium Bistrifluoromethylsulfonimide in Mesoporous Silica As a Function of Pore Filling Han, Kee Sung; Wang, Xiqing; Dai, Sheng The Journal of Physical Chemistry C, Vol. 117, Issue 30 https://doi.org/10.1021/jp404990q	journal	July 2013
Oriented Morphology and Anisotropic Transport in Uniaxially Stretched Perfluorosulfonate Ionomer Membranes Park, Jong Keun; Li, Jing; Divoux, Gilles M. Macromolecules, Vol. 44, Issue 14 https://doi.org/10.1021/ma200865p	journal	July 2011
Linear coupling of alignment with transport in a polymer electrolyte membrane Li, Jing; Park, Jong Keun; Moore, Robert B. Nature Materials, Vol. 10, Issue 7 https://doi.org/10.1038/nmat3048	journal	June 2011
A simple multinuclear NMR thermometer Ammann, Claude; Meier, Pierre; Merbach, AndréE Journal of Magnetic Resonance (1969), Vol. 46, Issue 2 https://doi.org/10.1016/0022-2364(82)90147-0	journal	February 1982
Time-dependent diffusion coefficient as a probe of geometry Sen, Pabitra N. Concepts in Magnetic Resonance, Vol. 23A, Issue 1 https://doi.org/10.1002/cmr.a.20017	journal	January 2004
Diffraction-like effects in NMR diffusion studies of fluids in porous solids Callaghan, P. T.; Coy, A.; MacGowan, D. Nature, Vol. 351, Issue 6326 https://doi.org/10.1038/351467a0	journal	June 1991
Evolution of Ion–Ion Interactions and Structures in Smectic Ionic Liquid Crystals Park, Seo Kyung; Han, Kee Sung; Lee, Jin Hong The Journal of Physical Chemistry C, Vol. 123, Issue 33 https://doi.org/10.1021/acs.jpcc.9b04056	journal	July 2019
Diffusional motion of redox centers in carbonate electrolytes Han, Kee Sung; Rajput, Nav Nidhi; Wei, Xiaoliang The Journal of Chemical Physics, Vol. 141, Issue 10 https://doi.org/10.1063/1.4894481	journal	September 2014
Solvation Structure and Dynamics of Mg(TFSI) ₂ Aqueous Electrolyte Yu, Zhou; Juran, Taylor R.; Liu, Xinyi ENERGY & ENVIRONMENTAL MATERIALS https://doi.org/10.1002/eem2.12174	journal	February 2021
The Use of Sample Rotation for Minimizing Convection Effects in Self-Diffusion NMR Measurements Esturau, Nuria; Sánchez-Ferrando, Francesc; Gavin, José Adrián Journal of Magnetic Resonance, Vol. 153, Issue 1 https://doi.org/10.1006/jmre.2001.2411	journal	November 2001
A new type of sample tube for reducing convection effects in PGSE-NMR measurements of self-diffusion coefficients of liquid samples Hayamizu, Kikuko; Price, William S. Journal of Magnetic Resonance, Vol. 167, Issue 2 https://doi.org/10.1016/j.jmr.2004.01.006	journal	April 2004
Use of glass capillaries to suppress thermal convection in NMR tubes in diffusion measurements Iwashita, Takashi; Konuma, Tsuyoshi; Harada, Erisa Magnetic Resonance in Chemistry, Vol. 54, Issue 9 https://doi.org/10.1002/mrc.4437	journal	April 2016
Observation of separate cation and anion electrophoretic mobilities in pure ionic liquids Zhang, Zhiyang; Madsen, Louis A. The Journal of Chemical Physics, Vol. 140, Issue 8 https://doi.org/10.1063/1.4865834	journal	February 2014
Boosting Solid-State Diffusivity and Conductivity in Lithium Superionic Argyrodites by Halide Substitution Adeli, Parvin; Bazak, J. David; Park, Kern Ho Angewandte Chemie International Edition, Vol. 58, Issue 26 https://doi.org/10.1002/anie.201814222	journal	May 2019
Density and Viscosity Measurements of Dimethoxymethane and 1,2-Dimethoxyethane from 243 K to 373 K up to 20 MPa Zheng, Pingjun; Meng, Xianyang; Wu, Jiangtao International Journal of Thermophysics, Vol. 29, Issue 4 https://doi.org/10.1007/s10765-008-0503-0	journal	August 2008
Density, Viscosity, Refractive Index, and Ultrasonic Speed of Binary Mixtures of 1,3-Dioxolane with 2-Methoxyethanol, 2-Ethoxyethanol, 2-Butoxyethanol, 2-Propylamine, and Cyclohexylamine Sarkar, Lovely; Roy, Mahendra Nath Journal of Chemical & Engineering Data, Vol. 54, Issue 12 https://doi.org/10.1021/je900240s	journal	July 2009
Density and Viscosity Measurements of 2,2,4-Trimethylpentane (Isooctane) from 198 K to 348 K and up to 100 MPa Pádua, A. A. H.; Fareleira, J. M. N. A.; Calado, J. C. G. Journal of Chemical & Engineering Data, Vol. 41, Issue 6 https://doi.org/10.1021/je950191z	journal	January 1996
Background gradient suppression in pulsed gradient stimulated echo measurements Sun, Phillip Zhe; Seland, John Georg; Cory, David Journal of Magnetic Resonance, Vol. 161, Issue 2 https://doi.org/10.1016/S1090-7807(02)00199-4	journal	April 2003
Determination of Genuine Diffusivities in Heterogeneous Media Using Stimulated Echo Pulsed Field Gradient NMR Vasenkov, Sergey; Galvosas, Petrik; Geier, Oliver Journal of Magnetic Resonance, Vol. 149, Issue 2 https://doi.org/10.1006/jmre.2001.2296	journal	April 2001
Diffusion Measurements at Long Observation Times in the Presence of Spatially Variable Internal Magnetic Field Gradients Seland, John Georg; Sørland, Geir Humborstad; Zick, Klaus Journal of Magnetic Resonance, Vol. 146, Issue 1 https://doi.org/10.1006/jmre.2000.2101	journal	September 2000
Effects of susceptibility variations on NMR measurements of diffusion Zhong, Jianhui; Kennan, Richard P.; Gore, John C. Journal of Magnetic Resonance (1969), Vol. 95, Issue 2 https://doi.org/10.1016/0022-2364(91)90217-H	journal	November 1991
Lithium ion diffusion measurements on a garnet-type solid conductor Li6.6La3Zr1.6Ta0.4O12 by using a pulsed-gradient spin-echo NMR method Hayamizu, Kikuko; Matsuda, Yasuaki; Matsui, Masaki Solid State Nuclear Magnetic Resonance, Vol. 70 https://doi.org/10.1016/j.ssnmr.2015.05.002	journal	September 2015
¹H NMR Investigations of Activated Carbon Loaded with Volatile Organic Compounds: Quantification, Mechanisms, and Diffusivity Determination Le Bozec, Guirec; Giraudet, Sylvain; Le Polles, Laurent Langmuir, Vol. 33, Issue 7 https://doi.org/10.1021/acs.langmuir.6b03608	journal	February 2017
Magnetic susceptibility of carbon—experiment and theory Stamenov, P.; Coey, J. M. D. Journal of Magnetism and Magnetic Materials, Vol. 290-291 https://doi.org/10.1016/j.jmmm.2004.11.209	journal	April 2005
Diffusive Transport in Pores. Tortuosity and Molecular Interaction with the Pore Wall Elwinger, Fredrik; Pourmand, Payam; Furó, István The Journal of Physical Chemistry C, Vol. 121, Issue 25 https://doi.org/10.1021/acs.jpcc.7b03885	journal	June 2017
Radiation damping in modern NMR experiments: Progress and challenges Krishnan, V. V.; Murali, Nagarajan Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 68 https://doi.org/10.1016/j.pnmrs.2012.06.001	journal	January 2013
Radiation damping on cryoprobes Shishmarev, Dmitry; Otting, Gottfried Journal of Magnetic Resonance, Vol. 213, Issue 1 https://doi.org/10.1016/j.jmr.2011.08.040	journal	December 2011
Characterization and Suppression Techniques for Degree of Radiation Damping in Inversion Recovery Measurements Keeler, Andrew; Whitney, Heather M. Spectroscopy Letters, Vol. 48, Issue 10 https://doi.org/10.1080/00387010.2014.992439	journal	July 2015
Radiation damping diagnostics Sz�ntay, Csaba; Demeter, �d�m Concepts in Magnetic Resonance, Vol. 11, Issue 3 https://doi.org/10.1002/(SICI)1099-0534(1999)11:3<121::AID-CMR2>3.0.CO;2-Z	journal	January 1999
Competition between radiation damping and transverse relaxation effects on NMR signal intensities Mao, Xi-an; Guo, Jian-xin; Ye, Chao-hui Chemical Physics Letters, Vol. 218, Issue 3 https://doi.org/10.1016/0009-2614(93)E1478-Y	journal	February 1994
Macroscopic Background Gradient and Radiation Damping Effects on High-Field PGSE NMR Diffusion Measurements Price, William S.; Stilbs, Peter; Jönsson, Bengt Journal of Magnetic Resonance, Vol. 150, Issue 1 https://doi.org/10.1006/jmre.2001.2316	journal	May 2001
NMR diffusion measurements of strong signals: the PGSE-Q-switch experiment Price, William S.; Wälchli, Markus Magnetic Resonance in Chemistry, Vol. 40, Issue 13 https://doi.org/10.1002/mrc.1113	journal	November 2002
On the Tuning of High-Resolution NMR Probes Pöschko, Maria Theresia; Schlagnitweit, Judith; Huber, Gaspard ChemPhysChem, Vol. 15, Issue 16 https://doi.org/10.1002/cphc.201402236	journal	September 2014
Suppression of Radiation Damping in NMR in Liquids by Active Electronic Feedback Broekaert, P.; Jeener, J. Journal of Magnetic Resonance, Series A, Vol. 113, Issue 1 https://doi.org/10.1006/jmra.1995.1056	journal	March 1995
Suppression of radiation damping for high precision quantitative NMR Bayle, Kevin; Julien, Maxime; Remaud, Gérald S. Journal of Magnetic Resonance, Vol. 259 https://doi.org/10.1016/j.jmr.2015.08.007	journal	October 2015
NMR measurements of diffusion in concentrated samples: avoiding problems with radiation damping Connell, Mark A.; Davis, Adrian L.; Kenwright, Alan M. Analytical and Bioanalytical Chemistry, Vol. 378, Issue 6 https://doi.org/10.1007/s00216-003-2387-y	journal	March 2004
High-Resolution DOSY NMR with Spins in Different Chemical Surroundings: Influence of Particle Exchange Cabrita, Eurico J.; Berger, Stefan; Bräuer, Peter Journal of Magnetic Resonance, Vol. 157, Issue 1 https://doi.org/10.1006/jmre.2002.2574	journal	July 2002
Unique Behavior of Dimethoxyethane (DME)/Mg(N(SO ₂ CF ₃ ) ₂ ) ₂ Solutions Salama, Michael; Shterenberg, Ivgeni; Gizbar, Haim The Journal of Physical Chemistry C, Vol. 120, Issue 35 https://doi.org/10.1021/acs.jpcc.6b07733	journal	August 2016
Relationship between Diffusion and Chemical Exchange in Mixtures of Carbon Dioxide and an Amine-Functionalized Ionic Liquid by High Field NMR and Kinetic Monte Carlo Simulations Hazelbaker, Eric D.; Budhathoki, Samir; Wang, Han The Journal of Physical Chemistry Letters, Vol. 5, Issue 10 https://doi.org/10.1021/jz500632k	journal	May 2014
Effects of Chemical Exchange in Diffusion-Ordered 2D NMR Spectra Johnson, C. S. Journal of Magnetic Resonance, Series A, Vol. 102, Issue 2 https://doi.org/10.1006/jmra.1993.1093	journal	April 1993
Characterization of Heterogeneous Solvent Diffusion Environments in Anion Exchange Membranes Alam, Todd M.; Hibbs, Michael R. Macromolecules, Vol. 47, Issue 3 https://doi.org/10.1021/ma402528v	journal	January 2014
New options for measuring molecular diffusion in zeolites by MAS PFG NMR Pampel, André; Fernandez, Moisés; Freude, Dieter Chemical Physics Letters, Vol. 407, Issue 1-3 https://doi.org/10.1016/j.cplett.2005.03.062	journal	May 2005
Macroscopic and microscopic Li+ transport parameters in cubic garnet-type “Li6.5La2.5Ba0.5ZrTaO12” as probed by impedance spectroscopy and NMR Narayanan, S.; Epp, V.; Wilkening, M. RSC Advances, Vol. 2, Issue 6 https://doi.org/10.1039/c2ra01042a	journal	January 2012
Magic-angle-spinning-induced local ordering in polymer electrolytes and its effects on solid-state diffusion and relaxation NMR measurements Messinger, Robert J.; Vu Huynh, Tan; Bouchet, Renaud Magnetic Resonance in Chemistry https://doi.org/10.1002/mrc.5033	journal	July 2020
Pulsed field gradient magic angle spinning NMR self-diffusion measurements in liquids Viel, Stéphane; Ziarelli, Fabio; Pagès, Guilhem Journal of Magnetic Resonance, Vol. 190, Issue 1 https://doi.org/10.1016/j.jmr.2007.10.010	journal	January 2008
Structure and dynamics of the fast lithium ion conductor “Li7La3Zr2O12” Buschmann, Henrik; Dölle, Janis; Berendts, Stefan Physical Chemistry Chemical Physics, Vol. 13, Issue 43 https://doi.org/10.1039/c1cp22108f	journal	January 2011
Solid-State NMR to Study Translational Li Ion Dynamics in Solids with Low-Dimensional Diffusion Pathways Volgmann, Kai; Epp, Viktor; Langer, Julia Zeitschrift für Physikalische Chemie, Vol. 231, Issue 7-8 https://doi.org/10.1515/zpch-2017-0952	journal	June 2017
Impact of ionic liquid on lithium ion battery with a solid poly(ionic liquid) pentablock terpolymer as electrolyte and separator Chen, Tzu-Ling; Sun, Rui; Willis, Carl Polymer, Vol. 209 https://doi.org/10.1016/j.polymer.2020.122975	journal	November 2020
Tailored crosslinking of Poly(ethylene oxide) enables mechanical robustness and improved sodium-ion conductivity Lehmann, Michelle L.; Yang, Guang; Gilmer, Dustin Energy Storage Materials, Vol. 21 https://doi.org/10.1016/j.ensm.2019.06.028	journal	September 2019
Diffusion and ionic conduction in nanocrystalline ceramics Heitjans, Paul; Indris, Sylvio Journal of Physics: Condensed Matter, Vol. 15, Issue 30 https://doi.org/10.1088/0953-8984/15/30/202	journal	July 2003
Ultraslow Li Exchange Processes in Diamagnetic Li ₂ ZrO ₃ As Monitored by EXSY NMR Bottke, P.; Freude, D.; Wilkening, M. The Journal of Physical Chemistry C, Vol. 117, Issue 16 https://doi.org/10.1021/jp401350u	journal	April 2013
Direct Determination of NMR Correlation Times from Spin−Lattice and Spin−Spin Relaxation Times Carper, W. Robert; Keller, Charles E. The Journal of Physical Chemistry A, Vol. 101, Issue 18 https://doi.org/10.1021/jp963338h	journal	May 1997
Determination of Nuclear Quadrupole Coupling Constants in 1:2 LiCl-Ethylaluminum Dichloride Solutions Keller, Charles E.; Piersma, Bernard J.; Mains, Gilbert J. Inorganic Chemistry, Vol. 33, Issue 24 https://doi.org/10.1021/ic00102a040	journal	November 1994
A microscale protein NMR sample screening pipeline Rossi, Paolo; Swapna, G. V. T.; Huang, Yuanpeng J. Journal of Biomolecular NMR, Vol. 46, Issue 1 https://doi.org/10.1007/s10858-009-9386-z	journal	November 2009
Nuclear Quadrupole Relaxation and Chemical Shift ofXe131in Liquid and Solid Xenon Warren, William W.; Norberg, R. E. Physical Review, Vol. 148, Issue 1 https://doi.org/10.1103/PhysRev.148.402	journal	August 1966
27Al pulsed nuclear magnetic resonance study of CeAl2 Kang, Kihyeok; Lee, Moohee Current Applied Physics, Vol. 14, Issue 3 https://doi.org/10.1016/j.cap.2013.12.008	journal	March 2014
Nuclear Spin-Lattice Relaxation in Hexagonal Transition Metals: Titanium Narath, Albert Physical Review, Vol. 162, Issue 2 https://doi.org/10.1103/PhysRev.162.320	journal	October 1967
Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent The Journal of Chemical Physics, Vol. 147, Issue 13 https://doi.org/10.1063/1.4993614	journal	October 2017
Multiple‐quantum NMR spectroscopy ofS=3/2 spins in isotropic phase: A new probe for multiexponential relaxation Jaccard, Guy; Wimperis, Stephen; Bodenhausen, Geoffrey The Journal of Chemical Physics, Vol. 85, Issue 11 https://doi.org/10.1063/1.451458	journal	December 1986
Dynamic Nuclear Polarization (DNP) 101: A New Era for Materials Hooper, Riley W.; Klein, Brittney A.; Michaelis, Vladimir K. Chemistry of Materials, Vol. 32, Issue 11 https://doi.org/10.1021/acs.chemmater.0c01801	journal	May 2020
Dynamic Nuclear Polarization Opens New Perspectives for NMR Spectroscopy in Analytical Chemistry Plainchont, Bertrand; Berruyer, Pierrick; Dumez, Jean-Nicolas Analytical Chemistry, Vol. 90, Issue 6 https://doi.org/10.1021/acs.analchem.7b05236	journal	February 2018
Nanometer-Scale Water Dynamics in Nafion Polymer Electrolyte Membranes: Influence of Molecular Hydrophobicity and Water Content Revisited Saun, Seung-Bo; Kim, JiWon; Hwang, Ryeo Yun ACS Macro Letters, Vol. 9, Issue 7 https://doi.org/10.1021/acsmacrolett.0c00173	journal	June 2020
Nanometer-Scale Water- and Proton-Diffusion Heterogeneities across Water Channels in Polymer Electrolyte Membranes Song, Jinsuk; Han, Oc Hee; Han, Songi Angewandte Chemie International Edition, Vol. 54, Issue 12 https://doi.org/10.1002/anie.201408318	journal	January 2015
DNP NMR Studies of Crystalline Polymer Domains by Copolymerization with Nitroxide Radical Monomers Verde-Sesto, Ester; Goujon, Nicolas; Sardon, Haritz Macromolecules, Vol. 51, Issue 20 https://doi.org/10.1021/acs.macromol.8b01665	journal	October 2018
High-Voltage Lithium-Metal Batteries Enabled by Localized High-Concentration Electrolytes Chen, Shuru; Zheng, Jianming; Mei, Donghai Advanced Materials, Vol. 30, Issue 21 https://doi.org/10.1002/adma.201706102	journal	March 2018
Temperature Dependence of Self-Diffusion Coefficients of Ions and Solvents in Ethylene Carbonate, Propylene Carbonate, and Diethyl Carbonate Single Solutions and Ethylene Carbonate + Diethyl Carbonate Binary Solutions of LiPF ₆ Studied by NMR Hayamizu, Kikuko Journal of Chemical & Engineering Data, Vol. 57, Issue 7 https://doi.org/10.1021/je3003089	journal	June 2012
Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries Han, Kee Sung; Chen, Junzheng; Cao, Ruiguo Chemistry of Materials, Vol. 29, Issue 21 https://doi.org/10.1021/acs.chemmater.7b02105	journal	October 2017
Factors Influencing Preferential Anion Interactions during Solvation of Multivalent Cations in Ethereal Solvents Han, Kee Sung; Hahn, Nathan T.; Zavadil, Kevin R. The Journal of Physical Chemistry C, Vol. 125, Issue 11 https://doi.org/10.1021/acs.jpcc.0c09830	journal	March 2021
Quantifying Species Populations in Multivalent Borohydride Electrolytes Hahn, Nathan T.; Self, Julian; Han, Kee Sung The Journal of Physical Chemistry B, Vol. 125, Issue 14 https://doi.org/10.1021/acs.jpcb.1c00263	journal	April 2021
On the extraction of ion association data and transference numbers from ionic diffusivity and conductivity data in polymer electrolytes Stolwijk, Nicolaas A.; Kösters, Johannes; Wiencierz, Manfred Electrochimica Acta, Vol. 102 https://doi.org/10.1016/j.electacta.2013.04.028	journal	July 2013
Determination of Mass Transfer Parameters and Ionic Association of LiPF ₆ : Organic Carbonates Solutions Krachkovskiy, Sergey A.; Bazak, J. David; Fraser, Sean Journal of The Electrochemical Society, Vol. 164, Issue 4 https://doi.org/10.1149/2.1531704jes	journal	January 2017
Mapping of Lithium-Ion Battery Electrolyte Transport Properties and Limiting Currents with In Situ MRI Bazak, J. David; Allen, J. P.; Krachkovskiy, S. A. Journal of The Electrochemical Society, Vol. 167, Issue 14 https://doi.org/10.1149/1945-7111/abc0c9	journal	October 2020
Determination of Binary Diffusivities in Concentrated Lithium Battery Electrolytes via NMR and Conductivity Measurements Krachkovskiy, Sergey; Dontigny, Martin; Rochon, Sylviane The Journal of Physical Chemistry C, Vol. 124, Issue 45 https://doi.org/10.1021/acs.jpcc.0c07383	journal	October 2020
Low-temperature charging of lithium-ion cells part I: Electrochemical modeling and experimental investigation of degradation behavior Tippmann, Simon; Walper, Daniel; Balboa, Luis Journal of Power Sources, Vol. 252 https://doi.org/10.1016/j.jpowsour.2013.12.022	journal	April 2014
Pulse-Gradient Spin-Echo ¹ H, ⁷ Li, and ¹⁹ F NMR Diffusion and Ionic Conductivity Measurements of 14 Organic Electrolytes Containing LiN(SO ₂ CF ₃ ) ₂ Hayamizu, Kikuko; Aihara, Yuichi; Arai, Shigemasa The Journal of Physical Chemistry B, Vol. 103, Issue 3 https://doi.org/10.1021/jp9825664	journal	January 1999
Lithium Speciation in the LiPF ₆ /PC Electrolyte Studied by Two-Dimensional Heteronuclear Overhauser Enhancement and Pulse-Field Gradient Diffusometry NMR Kumar, Vikas; Reddy, R. Ravikanth; Kumar, B. V. N. Phani The Journal of Physical Chemistry C, Vol. 123, Issue 15 https://doi.org/10.1021/acs.jpcc.8b11599	journal	March 2019
Evaluating Transport Properties and Ionic Dissociation of LiPF ₆ in Concentrated Electrolyte Feng, Zhange; Higa, Kenneth; Han, Kee Sung Journal of The Electrochemical Society, Vol. 164, Issue 12 https://doi.org/10.1149/2.0941712jes	journal	January 2017
Preferential Solvation of an Asymmetric Redox Molecule Han, Kee Sung; Rajput, Nav Nidhi; Vijayakumar, M. The Journal of Physical Chemistry C, Vol. 120, Issue 49 https://doi.org/10.1021/acs.jpcc.6b09114	journal	December 2016
Self-diffusion of toluene in polystyrene solutions Pickup, Stephen; Blum, Frank D. Macromolecules, Vol. 22, Issue 10 https://doi.org/10.1021/ma00200a025	journal	October 1989
Restricting the Solubility of Polysulfides in Li-S Batteries Via Electrolyte Salt Selection Chen, Junzheng; Han, Kee Sung; Henderson, Wesley A. Advanced Energy Materials, Vol. 6, Issue 11 https://doi.org/10.1002/aenm.201600160	journal	March 2016
Effect of the Anion Activity on the Stability of Li Metal Anodes in Lithium-Sulfur Batteries Cao, Ruiguo; Chen, Junzheng; Han, Kee Sung Advanced Functional Materials, Vol. 26, Issue 18 https://doi.org/10.1002/adfm.201505074	journal	March 2016
Non-flammable electrolytes with high salt-to-solvent ratios for Li-ion and Li-metal batteries Zeng, Ziqi; Murugesan, Vijayakumar; Han, Kee Sung Nature Energy, Vol. 3, Issue 8 https://doi.org/10.1038/s41560-018-0196-y	journal	July 2018
Origin of Unusual Acidity and Li ⁺ Diffusivity in a Series of Water-in-Salt Electrolytes Han, Kee Sung; Yu, Zhou; Wang, Hui The Journal of Physical Chemistry B, Vol. 124, Issue 25 https://doi.org/10.1021/acs.jpcb.0c02483	journal	June 2020
Transport Properties of Li-TFSI Water-in-Salt Electrolytes Li, Z.; Bouchal, R.; Mendez-Morales, T. The Journal of Physical Chemistry B, Vol. 123, Issue 49 https://doi.org/10.1021/acs.jpcb.9b08961	journal	November 2019
Asymmetric Composition of Ionic Aggregates and the Origin of High Correlated Transference Number in Water-in-Salt Electrolytes Yu, Zhou; Curtiss, Larry A.; Winans, Randall E. The Journal of Physical Chemistry Letters, Vol. 11, Issue 4 https://doi.org/10.1021/acs.jpclett.9b03495	journal	January 2020
Nanometric Water Channels in Water-in-Salt Lithium Ion Battery Electrolyte Lim, Joonhyung; Park, Kwanghee; Lee, Hochan Journal of the American Chemical Society, Vol. 140, Issue 46 https://doi.org/10.1021/jacs.8b07696	journal	October 2018
Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes Borodin, Oleg; Suo, Liumin; Gobet, Mallory ACS Nano, Vol. 11, Issue 10 https://doi.org/10.1021/acsnano.7b05664	journal	October 2017
Enabling Natural Graphite in High‐Voltage Aqueous Graphite \|\| Zn Metal Dual‐Ion Batteries Rodríguez‐Pérez, Ismael A.; Zhang, Lu; Wrogemann, Jens Matthies Advanced Energy Materials, Vol. 10, Issue 41 https://doi.org/10.1002/aenm.202001256	journal	September 2020
Ionic liquids and catalysis: Recent progress from knowledge to applications Olivier-Bourbigou, H.; Magna, L.; Morvan, D. Applied Catalysis A: General, Vol. 373, Issue 1-2 https://doi.org/10.1016/j.apcata.2009.10.008	journal	January 2010
Ionic Liquids in Electrochemical Devices and Processes: Managing Interfacial Electrochemistry MacFarlane, Douglas R.; Forsyth, Maria; Howlett, Patrick C. Accounts of Chemical Research, Vol. 40, Issue 11 https://doi.org/10.1021/ar7000952	journal	November 2007
Physical Properties of Ionic Liquids: Database and Evaluation Zhang, Suojiang; Sun, Ning; He, Xuezhong Journal of Physical and Chemical Reference Data, Vol. 35, Issue 4, p. 1475-1517 https://doi.org/10.1063/1.2204959	journal	December 2006
Ionic-liquid materials for the electrochemical challenges of the future Armand, Michel; Endres, Frank; MacFarlane, Douglas R. Nature Materials, Vol. 8, Issue 8, p. 621-629 https://doi.org/10.1038/nmat2448	journal	July 2009
Physicochemical properties of imidazolium-derived ionic liquids with different C-2 substitutions Liao, Chen; Shao, Nan; Han, Kee Sung Physical Chemistry Chemical Physics, Vol. 13, Issue 48 https://doi.org/10.1039/c1cp22375e	journal	January 2011
Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species Tokuda, Hiroyuki; Hayamizu, Kikuko; Ishii, Kunikazu The Journal of Physical Chemistry B, Vol. 108, Issue 42 https://doi.org/10.1021/jp047480r	journal	October 2004
Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation Tokuda, Hiroyuki; Hayamizu, Kikuko; Ishii, Kunikazu The Journal of Physical Chemistry B, Vol. 109, Issue 13 https://doi.org/10.1021/jp044626d	journal	April 2005
Physicochemical Properties and Structures of Room-Temperature Ionic Liquids. 3. Variation of Cationic Structures Tokuda, Hiroyuki; Ishii, Kunikazu; Susan, Md. Abu Bin Hasan The Journal of Physical Chemistry B, Vol. 110, Issue 6 https://doi.org/10.1021/jp053396f	journal	February 2006
Ionic Conduction and Ion Diffusion in Binary Room-Temperature Ionic Liquids Composed of [emim][BF ₄ ] and LiBF ₄ Hayamizu, Kikuko; Aihara, Yuichi; Nakagawa, Hiroe The Journal of Physical Chemistry B, Vol. 108, Issue 50 https://doi.org/10.1021/jp0476601	journal	December 2004
Enhanced Lithium Transference Numbers in Ionic Liquid Electrolytes Frömling, T.; Kunze, M.; Schönhoff, M. The Journal of Physical Chemistry B, Vol. 112, Issue 41 https://doi.org/10.1021/jp804097j	journal	October 2008
Molecular Environment and Enhanced Diffusivity of Li ⁺ Ions in Lithium-Salt-Doped Ionic Liquid Electrolytes Castiglione, Franca; Ragg, Enzio; Mele, Andrea The Journal of Physical Chemistry Letters, Vol. 2, Issue 3 https://doi.org/10.1021/jz101516c	journal	January 2011
An NMR and Ionic Conductivity Study of Ion Dynamics in Liquid Poly(ethylene oxide)-Based Electrolytes Doped with LiN(SO₂CF₃)₂ Hayamizu, Kikuko; Sugimoto, Kyoko; Akiba, Etsuo The Journal of Physical Chemistry B, Vol. 106, Issue 3 https://doi.org/10.1021/jp013035+	journal	December 2001
Effect of Molecular Weight and Salt Concentration on Ion Transport and the Transference Number in Polymer Electrolytes Timachova, Ksenia; Watanabe, Hiroshi; Balsara, Nitash P. Macromolecules, Vol. 48, Issue 21 https://doi.org/10.1021/acs.macromol.5b01724	journal	October 2015
Gel/Solid Polymer Electrolytes Characterized by In Situ Gelation or Polymerization for Electrochemical Energy Systems Cho, Yoon‐Gyo; Hwang, Chihyun; Cheong, Do Sol Advanced Materials, Vol. 31, Issue 20 https://doi.org/10.1002/adma.201804909	journal	November 2018
Interactive Effect of the Polymer on Carrier Migration Nature in the Chemically Cross-Linked Polymer Gel Electrolyte Composed of Poly(ethylene glycol) Dimethacrylate Kataoka, Hiroshi; Saito, Yuria; Uetani, Yoshihiro The Journal of Physical Chemistry B, Vol. 106, Issue 46 https://doi.org/10.1021/jp021307i	journal	October 2002
Chelate Effects in Glyme/Lithium Bis(trifluoromethanesulfonyl)amide Solvate Ionic Liquids. I. Stability of Solvate Cations and Correlation with Electrolyte Properties Zhang, Ce; Ueno, Kazuhide; Yamazaki, Azusa The Journal of Physical Chemistry B, Vol. 118, Issue 19 https://doi.org/10.1021/jp501319e	journal	May 2014
Ion Transport Effects in a Solid Polymer Electrolyte Due to Salt Substitution and Addition Using an Ionic Liquid Kösters, Johannes; Schönhoff, Monika; Stolwijk, Nicolaas A. The Journal of Physical Chemistry B, Vol. 117, Issue 8 https://doi.org/10.1021/jp311563h	journal	February 2013
Influence of Cationic Poly(ionic liquid) Architecture on the Ion Dynamics in Polymer Gel Electrolytes Brinkkötter, Marc; Lozinskaya, Elena I.; Ponkratov, Denis O. The Journal of Physical Chemistry C, Vol. 123, Issue 21 https://doi.org/10.1021/acs.jpcc.9b03089	journal	May 2019
Ionic Diffusion Mechanism of Glucitol-Containing Lithium Polymer Electrolytes Saito, Yuria; Hirai, Kenichi; Katayama, Hideaki Macromolecules, Vol. 38, Issue 15 https://doi.org/10.1021/ma050503v	journal	July 2005
Ion Diffusion Restricted by Time-Dependent Barriers in a Viscous Polyethylene-Based Liquid Electrolyte Hayamizu, Kikuko; Akiba, Etsuo; Price, William S. Macromolecules, Vol. 36, Issue 23 https://doi.org/10.1021/ma035265n	journal	October 2003
NMR Studies on Poly(ethylene oxide)-based Polymer Electrolytes with Different Cross-Linking Doped with LiN(SO ₂ CF ₃ ) ₂ . Restricted Diffusion of the Polymer and Lithium Ion and Time-Dependent Diffusion of the Anion Hayamizu, Kikuko; Akiba, Etsuo; Bando, Toshinori Macromolecules, Vol. 36, Issue 8 https://doi.org/10.1021/ma021741i	journal	April 2003
Existing Condition and Migration Property of Ions in Lithium Electrolytes with Ionic Liquid Solvent Saito, Yuria; Umecky, Tatsuya; Niwa, Junichi The Journal of Physical Chemistry B, Vol. 111, Issue 40 https://doi.org/10.1021/jp072998r	journal	October 2007
The effect of the diffusion time and pulse gradient duration ratio on the diffraction pattern and the structural information estimated from q-space diffusion MR: Experiments and simulations Bar-Shir, Amnon; Avram, Liat; Özarslan, Evren Journal of Magnetic Resonance, Vol. 194, Issue 2 https://doi.org/10.1016/j.jmr.2008.07.009	journal	October 2008
Anomalous lithium ion migration in the solid electrolyte (Li2S)7(P2S5)3; fast ion transfer at short time intervals studied by PGSE NMR spectroscopy Hayamizu, Kikuko; Aihara, Yuichi; Machida, Nobuya Solid State Ionics, Vol. 259 https://doi.org/10.1016/j.ssi.2014.02.016	journal	June 2014
Lithium ion diffusion in solid electrolyte (Li2S)7(P2S5)3 measured by pulsed-gradient spin-echo 7Li NMR spectroscopy Hayamizu, Kikuko; Aihara, Yuichi Solid State Ionics, Vol. 238 https://doi.org/10.1016/j.ssi.2013.02.014	journal	May 2013
Diffusion coefficient of lithium ions in garnet-type Li6.5La3Zr1.5Ta0.5O12 single crystal probed by 7Li pulsed field gradient-NMR spectroscopy Dorai, Arunkumar; Kuwata, Naoaki; Takekawa, Reiji Solid State Ionics, Vol. 327 https://doi.org/10.1016/j.ssi.2018.10.016	journal	December 2018
Tetragonal Li10GeP2S12 and Li7GePS8 – exploring the Li ion dynamics in LGPS Li electrolytes Kuhn, Alexander; Duppel, Viola; Lotsch, Bettina V. Energy & Environmental Science, Vol. 6, Issue 12 https://doi.org/10.1039/c3ee41728j	journal	January 2013
Li ₁₀ SnP ₂ S ₁₂ : An Affordable Lithium Superionic Conductor Bron, Philipp; Johansson, Sebastian; Zick, Klaus Journal of the American Chemical Society, Vol. 135, Issue 42 https://doi.org/10.1021/ja407393y	journal	October 2013
Local Structures and Li Ion Dynamics in a Li ₁₀ SnP ₂ S ₁₂ -Based Composite Observed by Multinuclear Solid-State NMR Spectroscopy Kaus, Maximilian; Stöffler, Heike; Yavuz, Murat The Journal of Physical Chemistry C, Vol. 121, Issue 42 https://doi.org/10.1021/acs.jpcc.7b08350	journal	October 2017
A new ultrafast superionic Li-conductor: ion dynamics in Li ₁₁ Si ₂ PS ₁₂ and comparison with other tetragonal LGPS-type electrolytes Kuhn, Alexander; Gerbig, Oliver; Zhu, Changbao Phys. Chem. Chem. Phys., Vol. 16, Issue 28 https://doi.org/10.1039/C4CP02046D	journal	January 2014
Structural Insights and 3D Diffusion Pathways within the Lithium Superionic Conductor Li ₁₀ GeP ₂ S ₁₂ Weber, Dominik A.; Senyshyn, Anatoliy; Weldert, Kai S. Chemistry of Materials, Vol. 28, Issue 16 https://doi.org/10.1021/acs.chemmater.6b02424	journal	August 2016
Li ⁺ -Ion Dynamics in β-Li ₃ PS ₄ Observed by NMR: Local Hopping and Long-Range Transport Stöffler, Heike; Zinkevich, Tatiana; Yavuz, Murat The Journal of Physical Chemistry C, Vol. 122, Issue 28 https://doi.org/10.1021/acs.jpcc.8b05431	journal	June 2018
Influence of Aliovalent Cation Substitution and Mechanical Compression on Li-Ion Conductivity and Diffusivity in Argyrodite Solid Electrolytes Adeli, Parvin; Bazak, J. David; Huq, Ashfia Chemistry of Materials, Vol. 33, Issue 1 https://doi.org/10.1021/acs.chemmater.0c03090	journal	December 2020
Three-dimensional pulsed field gradient NMR measurements of self-diffusion in anisotropic materials for energy storage applications Engelke, S.; Marbella, L. E.; Trease, N. M. Physical Chemistry Chemical Physics, Vol. 21, Issue 8 https://doi.org/10.1039/C8CP07776B	journal	January 2019
Evidence of Anisotropic Self-Diffusion of Guest Molecules in Nanoporous Materials of MCM-41 Type Stallmach, Frank; Kärger, Jörg; Krause, Cordula Journal of the American Chemical Society, Vol. 122, Issue 38 https://doi.org/10.1021/ja001106x	journal	September 2000
Lithium diffusion in lithium nitride by pulsed-field gradient NMR Wang, Zhongli; Gobet, Mallory; Sarou-Kanian, Vincent Physical Chemistry Chemical Physics, Vol. 14, Issue 39 https://doi.org/10.1039/c2cp42391j	journal	January 2012
Direct observation of ion dynamics in supercapacitor electrodes using in situ diffusion NMR spectroscopy Forse, Alexander C.; Griffin, John M.; Merlet, Céline Nature Energy, Vol. 2, Issue 3 https://doi.org/10.1038/nenergy.2016.216	journal	February 2017
Probing and Interpreting the Porosity and Tortuosity Evolution of Li-O₂ Cathodes on Discharge through a Combined Experimental and Theoretical Approach Torayev, Amangeldi; Engelke, Simon; Su, Zeliang The Journal of Physical Chemistry C, Vol. 125, Issue 9 https://doi.org/10.1021/acs.jpcc.0c10417	journal	February 2021
Quantifying Mass Transport during Polarization in a Li Ion Battery Electrolyte by in Situ ⁷ Li NMR Imaging Klett, Matilda; Giesecke, Marianne; Nyman, Andreas Journal of the American Chemical Society, Vol. 134, Issue 36 https://doi.org/10.1021/ja305461j	journal	August 2012
Slice-Selective NMR Diffusion Measurements: A Robust and Reliable Tool for In Situ Characterization of Ion-Transport Properties in Lithium-Ion Battery Electrolytes Krachkovskiy, Sergey A.; Pauric, Allen. D.; Halalay, Ion C. The Journal of Physical Chemistry Letters, Vol. 4, Issue 22 https://doi.org/10.1021/jz402103f	journal	November 2013
Communication— ⁷ Li MRI Unveils Concentration Dependent Diffusion in Polymer Electrolyte Batteries Chandrashekar, S.; Oparaji, Onyekachi; Yang, Guang Journal of The Electrochemical Society, Vol. 163, Issue 14 https://doi.org/10.1149/2.0681614jes	journal	January 2016
⁷ Li in situ 1D NMR imaging of a lithium ion battery Klamor, S.; Zick, K.; Oerther, T. Physical Chemistry Chemical Physics, Vol. 17, Issue 6 https://doi.org/10.1039/C4CP05021E	journal	January 2015
Accurate Characterization of Ion Transport Properties in Binary Symmetric Electrolytes Using In Situ NMR Imaging and Inverse Modeling Sethurajan, Athinthra Krishnaswamy; Krachkovskiy, Sergey A.; Halalay, Ion C. The Journal of Physical Chemistry B, Vol. 119, Issue 37 https://doi.org/10.1021/acs.jpcb.5b04300	journal	September 2015
Incorporating Dendrite Growth into Continuum Models of Electrolytes: Insights from NMR Measurements and Inverse Modeling Sethurajan, Athinthra K.; Foster, Jamie M.; Richardson, Giles Journal of The Electrochemical Society, Vol. 166, Issue 8 https://doi.org/10.1149/2.0921908jes	journal	January 2019
Visualization of Steady-State Ionic Concentration Profiles Formed in Electrolytes during Li-Ion Battery Operation and Determination of Mass-Transport Properties by in Situ Magnetic Resonance Imaging Krachkovskiy, Sergey A.; Bazak, J. David; Werhun, Peter Journal of the American Chemical Society, Vol. 138, Issue 25 https://doi.org/10.1021/jacs.6b04226	journal	June 2016
Multi-Temperature in Situ Magnetic Resonance Imaging of Polarization and Salt Precipitation in Lithium-Ion Battery Electrolytes Bazak, J. David; Krachkovskiy, Sergey A.; Goward, Gillian R. The Journal of Physical Chemistry C, Vol. 121, Issue 38 https://doi.org/10.1021/acs.jpcc.7b07218	journal	September 2017

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