Published Papers – 2019

Genorio, B.; Harrison, K. L.; Connell, J. G.; Drazil, G.; Zavadil, K. R.; Markovic, N. M.; Strmcnik, D., “Tuning the Selectivity and Activity of Electrochemical Interfaces with Defective Graphene Oxide and Reduced Graphene Oxide“, ACS Applied Materials & Interfaces, August 20, 2019, DOI: 10.1021/acsami.9b13391. View
Vaid, T. P.; Sanford, M. S., “An Organic Super-Electron-Donor as a High Energy Density Negative Electrolyte for Nonaqueous Flow Batteries“, Chem Comm, August 19, 2019, DOI: 10.1039/C9CC06080D. View
Wang, L.; Menakath, A.; Han, F.; Wang, Y.; Zavalij, P. Y.; Gaskell, K. J.; Borodin, O.; Iuga, D.; Brian, S. P.; Wang, C.; Xu, K.; Eichhorn, B. W., “Identifying the components of the solid–electrolyte interphase in Li-ion batteries“, Nature Chemistry, August 19, 2019, DOI: 10.1038/ s41557-019-0304-z. View
Kamphaus, E. P.; Angarita-Gomez, S.; Qin, X.; Shao, X.; Engelhard, M. H.; Mueller, K. T.; Murugesan, V.; Balbuena, P. B., “Role of inorganic surface layer on solid electrolyte interphase evolution at Li-metal anodes“, ACS Applied Materials & Interfaces, August 01, 2019, DOI: 10.1021/acsami.9b07587. View
Park, S. K.; Han, K. S.; Lee, J. H.; Murugesan, V.; Lee, S. H.; Koo, C. M.; Lee, J. S.; Mueller, K. T., “Evolution of Ion−Ion Interactions and Structures in Smectic Ionic Liquid Crystals“, Journal of Physical Chemistry C, July 26, 2019, DOI: 10.1021/acs.jpcc.9b04056. View
Lau, K. C.; Dietz-Rago, N. L.; Liao, C., “Lipophilic Additives for Highly Concentrated Electrolytes in Lithium-Sulfur Batteries“, Journal of the Electrochemical Society, July 22, 2019, DOI: 10.1149/2.0921912jes. View
Baskin, A.; Prendergast, D., “”Ion Solvation Spectra”: Free Energy Analysis of Solvation Structures of Multivalent Cations in Aprotic Solvents“, Journal of Physical Chemistry Letters, July 19, 2019, DOI: 10.1021/acs.jpclett.9b01569. View
Jahrman, E. P.; Pellerin, L. A.; Ditter, A. S.; Bradshaw, L. R.; Fister, T. T.; Polzin, B. J.; Trask, S. E.; Dunlop, A. R.; Seidler, G. T., “Laboratory-Based X-ray Absorption Spectroscopy on a Working Pouch Cell Battery at Industrially-Relevant Charging Rates“, Journal of the Electrochemical Society, July 18, 2019, DOI: 10.1149/2.0721912jes. View
Galluzzo, M. D.; Maslyn, J. A.; Shah, D. B.; Balsara, N. P., “Ohm’s law for ion conduction in lithium and beyond-lithium battery electrolytes“, Journal of Chemical Physics, July 12, 2019, DOI: 10.1063/1.5109684. View
Zhang, J.; Shkrob, I. A.; Assary, R. S.; Clark, R. J.; Wilson, R. J.; Jiang, S.; Meisner, Q. J.; Zhu, L.; Hu, B.; Zhang, L., “An extremely durable redox shuttle additive for overcharge protection of lithium-ion batteries“, Materials Today Energy, July 04, 2019, DOI: 10.1016/j.mtener.2019.06.003. View
Narayanan, B.; Redfern, P. C.; Assary, R. S.; Curtiss, L. A., “Accurate quantum chemical energies for 133 000 organic molecules“, Chemical Science, June 27, 2019, DOI: 10.1039/c9sc02834j. View
Forner-Cuenca, A.; Penn, E. E.; Oliveira, A. M.; Brushett, F. R., “Exploring the Role of Electrode Microstructure on the Performance of Non-Aqueous Redox Flow Batteries“, Journal of the Electrochemical Society, June 26, 2019, DOI: 10.1149/2.0611910jes. View
Counihan, M. J.; Setwipatanachai, W.; Rodriguez-Lopez, J., “Interrogating the Surface Intermediates and Water Oxidation Products of Boron‐Doped Diamond Electrodes with Scanning Electrochemical Microscopy“, Chemelectrochem, June 17, 2019, DOI: 10.1002/celc.201900659. View
Robinson, S. G.; Yan, Y.; Hendriks, K. H.; Sanford, M. S.; Sigman, M. S., “Developing a Predictive Solubility Model for Monomeric and Oligomeric Cyclopropenium-Based Flow Battery Catholytes“, Journal of the American Chemical Society, June 15, 2019, DOI: 10.1021/jacs.9b04270. View
Silcox, B.; Zhang, J.; Shkrob, I. A.; Thompson, L.; Zhang, L., “On Transferability of Performance Metrics for Redox Active Molecules“, Journal of Physical Chemistry C, June 13, 2019, DOI: 10.1021/acs.jpcc.9b02230. View
Barton, J. L.; Wixtrom, A. I.; Kowalski, J. A.; Qian, E. A.; Jung, D.; Brushett, F. R.; Spokoyny, A. M., “Perfunctionalized Dodecaborate Clusters as Stable Metal-Free Active Materials for Charge Storage“, ACS Applied Energy Materials, June 06, 2019, DOI: 10.1021/acsaem.9b00610. View
Yoo, H. D.; Jokisaari, J. R.; Yu, Y. S.; Kwon, B. J.; Hu, L.; Kim, S.; Han, S. D.; Lopez, M.; Lapidus, S. H.; Nolis, G. M.; Ingram, B. J.; Bolotin, I.; Ahmed, S.; Klie, R. F.; Vaughey, J. T.; Fister, T. T.; Cabana, J., “Intercalation of Magnesium into a Layered Vanadium Oxide with High Capacity“, ACS Energy Letters, May 31, 2019, DOI: 10.1021/acsenergylett.9b00788. View
Kwok, C. Y.; Pang, Q.; Worku, A. F.; Liang, X.; Gauthier, M.; Nazar, L., “Impact of the Mechanical Properties of a Functionalized Cross-linked Binder on the Longevity of Li-S Batteries“, ACS Applied Materials & Interfaces, May 29, 2019, DOI: 10.1021/acsami.9b06456. View
Shin, M.; Gewirth, A. A., “Incorporating Solvate and Solid Electrolytes for All-Solid-State Li2S Batteries with High Capacity and Long Cycle Life“, Advanced Energy Materials, May 28, 2019, DOI: 10.1002/aenm.201900938. View

 

 

Ta, K.; Zhang, R.; Shin, M.; Rooney, R. T.; Neumann, E. K.; Gewirth, A. A., “Understanding Ca Electrodeposition and Speciation Processes in Nonaqueous Electrolytes for Next‒Generation Ca‒Ion Batteries“, ACS Applied Materials & Interfaces, May 22, 2019, DOI: 10.1021/acsami.9b04926.

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Wustrow, A.; Hancock, J. C.; Holland, M.; Charles, N.; Rondinelli, J. M.; Poeppelmeier, K. R., “Two closely related polymorphs of ammonium trifluorooxovanadate“, Journal of Solid State Chemistry, May 10, 2019, DOI: 10.1016/j.jssc.2019.05.013.

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Robertson, L. A.; Li, Z.; Cao, Y.; Shkrob, I. A.; Tyagi, M.; Smith, K. C.; Zhang, L.; Moore, J. S.; Zhang, Y., “Observation of Microheterogeneity in Highly Concentrated Nonaqueous Electrolyte Solutions“, Journal of the American Chemical Society, May 10, 2019, DOI: 10.1021/jacs.9b02323. View
Attanayake, N. H.; Kowalski, J. A.; Greco, K.; Casselman, M. D.; Milshtein, J. D.; Chapman, S. J.; Parkin, S. R.; Brushett, F. R.; Odom, S. A., “Tailoring Two-Electron Donating Phenothiazines to Enable High Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries“, Chemistry of Materials, May 07, 2019, DOI: 10.1021/acs.chemmater.8b04770. View
Lau, K. C.; Seguin, T. J.; Carino, E. V.; Hahn, N. T.; Connell, J. G.; Ingram, B. J.; Persson, K. A.; Zavadil, K. R.; Liao, C., “Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte“, Journal of the Electrochemical Society, May 02, 2019, DOI: 10.1149/2.0751908jes. View
Rapoport, L.; Solomon, B. R.; Varanasi, K. K., “Mobility of Yield Stress Fluids on Lubricant-Impregnated Surfaces“, ACS Applied Materials & Interfaces, April 22, 2019, DOI: 10.1021/acsami.8b21478. View
Seguin, T. J.; Hahn, N. T.; Zavadil, K. R.; Persson, K. A., “Elucidating Non-aqueous Solvent Stability and Associated Decomposition Mechanisms for Mg Energy Storage Applications From First-Principles“, Frontiers in Chemistry, April 09, 2019, DOI: 10.3389/fchem.2019.00175. View
Sa, N.; Mukherjee, A.; Han, B.; Ren, Y.; Klie, R. F.; Key, B.; Vaughey, J. T., “Direct observation of MgO formation at cathode electrolyte interface of aspinel MgCo2O4cathode upon electrochemical Mg removal and insertion“, Journal of Power Sources, March 25, 2019, DOI: 10.1016/j.jpowsour.2019.03.102. View
Zhang, L.; Guo, J., “Understanding the Reaction Mechanism of Lithium–Sulfur Batteries by In Situ/Operando X-ray Absorption Spectroscopy“, Arabian Journal for Science and Engineering, March 21, 2019, DOI: 10.1007/s13369-019-03808-8. View
Shah, D. B.; Nguyen, H. Q.; Grundy, L. S.; Olson, K. R.; Mecham, S. J.; DeSimone, J. M.; Balsara, N. P., “Difference between approximate and rigorously measured transference numbers in fluorinated electrolytes“, Physical Chemistry Chemical Physics, March 19, 2019, DOI: 10.1039/c9cp00216b. View
Zhang, R.; Pan, C.; Nuzzo, R. G.; Gewirth, A. A., “CoS2 as a Sulfur Redox-Active Cathode Material for High-Capacity Nonaqueous Zn Batteries“, Journal of Physical Chemistry C, March 14, 2019, DOI: 10.1021/acs.jpcc.9b02142. View
Yuan, M.; Minteer, S. D., “Redox Polymers in Electrochemical Systems: From Methods of Mediation to Energy Storage“, Current Opinion in Electrochemistry, March 13, 2019, DOI: 10.1016/j.coelec.2019.03.003. View
Humbert, M. T.; Zhang, Y.; Maginn, E. J., “PyLAT: Python LAMMPS Analysis Tools“, Journal of Chemical Information and Modeling, March 07, 2019, DOI: 10.1021/acs.jcim.9b00066. View
Assary, R. S.; Curtiss, L. A., “Oxidative decomposition mechanisms of lithium peroxide clusters: an Ab Initio study“, Molecular Physics, March 04, 2019, DOI: 10.1080/00268976.2018.1559955. View
Helms, B. A.; Seferos, D. S., “Virtual Issue: Designing Polymers for Use in Electrochemical Energy Storage Devices“, Macromolecules, February 26, 2019, DOI: 10.1021/acs.macromol.9b00035. View
Wustrow, A.; Hancock, J. C.; Incorvati, J.; Vaughey, J. T.; Poeppelmeier, K. R., “The Effect of Fluoride Doping on Lithium Diffusivity in Layered Molybdenum Oxide“, ACS Applied Energy Materials, February 26, 2019, DOI: 10.1021/acsaem.8b02141. View
Barton, J. L.; Brushett, F. R., “A One-Dimensional Stack Model for Redox Flow Battery Analysis and Operation“, Batteries, February 22, 2019, DOI: 10.3390/batteries5010025. View
Timachova, K.; Sethi, G. K.; Bhattacharya, R.; Villaluenga, I.; Balsara, N. P., “Ion diffusion across a disorder-to-order phase transition in a poly(ethylene oxide)-bpoly( silsesquioxane) block copolymer electrolyte“, Molecular Systems Design & Engineering, February 21, 2019, DOI: 10.1039/c8me00077h. View
Jahrman, E. P.; Holden, W. M.; Ditter, A. S.; Mortensen, D. R.; Seidler, G. T.; Fister, T. T.; Kozimor, S. A.; Piper, L. F. J.; Rana, J.; Hyatt, N. C.; Stennett, M. C., “An improved laboratory-based x-ray absorption fine structure and x-ray emission spectrometer for analytical applications in materials chemistry research“, Review of Scientific Instruments, February 17, 2019, DOI: 10.1063/1.5049383. View
Andersen, A.; Rajput, N. N.; Han, K. S.; Pan, H.; Govind, N.; Persson, K. A.; Mueller, K. T.; Murugesan, V., “Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-dioxolane and 1,2-dimethoxyethane“, Chemistry of Materials, February 15, 2019, DOI: 10.1021/acs.chemmater.8b03944. View
Chen, T. N.; Ceder, G.; Gautam, G. S.; Canepa, P., “Evaluation of Mg Compounds as Coating Materials in Mg Batteries“, Frontiers in Chemistry, January 30, 2019, DOI: 10.3389/fchem.2019.00024. View
Nagy, K. S.; Kazemiabnavi, S.; Thornton, K.; Siegel, D. J., “Thermodynamic Overpotentials and Nucleation Rates for Electrodeposition on Metal Anodes“, ACS Applied Materials & Interfaces, January 30, 2019, DOI: 10.1021/acsami.8b19787. View
Timachova, K.; Newman, J.; Balsara, N. P., “Theoretical Interpretation of Ion Velocities in Concentrated Electrolytes Measured by Electrophoretic NMR”, Journal of the Electrochemical Society, January 28, 2019, DOI: 10.1149/2.0591902jes. View
Macdonald, M.; Darling, R. M., “Comparing velocities and pressures in redox flow batteries with interdigitated and serpentine channels”, AIChe Journal, January 26, 2019, DOI: 10.1002/aic.16553. View
Tian, Y.; Sun, Y.; Hannah, D. C.; Xiao,Y.; Liu, H.; Chapman, K. W.; Bo, S-H.; Ceder, G., “Reactivity-Guided Interface Design in Na Metal Solid-State Batteries“, Joule, January 23, 2019, DOI: 10.1016/j.joule.2018.12.019. View
Ma, L.; Fu, C.; Li, L.; Mayilvahanan, K. S.; Watkins, T.; Perdue, B. R.; Zavadil, K. R.; Helms, B. A., “Nanoporous Polymer Films with a High Cation Transference Number Stabilize Lithium Metal Anodes in Light-Weight Batteries for Electrified Transportation”, Nano Letters, January 23, 2019, DOI: 10.1021/acs.nanolett.8b05101. View
Tsao, Y.; Lee, M.; Miller, E. C.; Gao, G.; Park, J.; Chen, S.; Katsumata, T.; Tran, H.; Wang, L-W.; Toney, M. F.; Cui, Y.; Bao, Z., “Designing a Quinone-Based Redox Mediator to Facilitate Li2S Oxidation in Li-S Batteries“, Joule, January 22, 2019, DOI: 10.1016/j.joule.2018.12.018. View
Cao, C.; Abate, I. I.; Sivonxay, E.; Jia, C.; Mortiz, B.; Devereaux, T. P.; Persson, K. A.; Steinruck, H-G.; Toney, M. F., “Solid Electrolyte Interphase on Native Oxide- Terminated Silicon Anodes for Li-Ion Batteries“, Joule, January 17, 2019, DOI: 10.1016/j.joule.2018.12.013. View

 

Jahrman, E. P.; Holden, W. M.; Ditter, A. S.; Kozimor, S. A.; Kihara, S. L.; Seidler, G. T., “Vacuum formed temporary sphericallyand toroidally bent crystal analyzers for x-ray absorption and x-ray emission spectroscopy”, Review of Scientific Instruments, January 16, 2019, DOI: 10.1063/1.5057231.

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Kim, K.; Siegel, D. J., “Correlating Lattice Distortions, Ion Migration Barriers, and Stability in Solid Electrolytes”, Journal of Materials Chemistry A, January 15, 2019, DOI: 10.1039/C8TA10989C. View
Baskin, A.; Prendergast, D., “Exploring chemical speciation at electrified interfaces using detailed continuum models”, Journal of Chemical Physics, January 04, 2019, DOI: 10.1063/1.5058159. View
Feng, Z.; Sarnello, E.; Li, T.; Cheng, L., “Communication—Microscopic View of the Ethylene Carbonate Based Lithium-Ion Battery Electrolyte by X-ray Scattering”, Journal of the Electrochemical Society, January 04, 2019, DOI: 10.1149/2.0971816jes. View

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