Published Papers – 2019

Kowalski, J. A.; Carney, T. J.; Huang, J.; Zhang, L.; Brushett, F. R., “An investigation on the impact of halidization on substituted dimethoxybenzenes“, Electrochimica Acta, December 27, 2019, DOI: 10.1016/j.electacta.2019.135580. View

Kwon, B. J.; Lau, K. C.; Park, H.; Wu, Y. A.; Hawthorne, K. L.; Li, H.; Kim, S.; Bolotin, I. L.; Fister, T. T.; Zapol, P.; Klie, R. F.; Cabana, J.; Liao, C.; Lapidus, S. H.; Key, B.; Vaughey, J. T., “Probing Electrochemical Mg-ion Activity in MgCr2-xVxO4 Spinel Oxides“, Chemistry of Materials, December 27, 2019, DOI: 10.1021/acs.chemmater.9b04206. View

Bayliss, R. D.; Key, B.; Gautam, G. S.; Canepa, P.; Kwon, B. J.; Lapidus, S. H.; Dogan, F.; Adil, A. A.; Lipton, A. S.; Baker, P. J.; Ceder, G.; Vaughey, J. T.; Cabana, J., “Probing Mg Migration in Spinel Oxides“, Chemistry of Materials, December 19, 2019, DOI: 10.1021/acs.chemmater.9b02450. View

Kowalski, J. A.; Neyhouse, B. J.; Brushett, F. R., “The impact of bulk electrolysis cycling conditions on the perceived stability of redox active materials“, Electrochemistry Communications, December 09, 2019, DOI: 10.1016/j.elecom.2019.106625. View

Valle, J. M.; Sakamoto, J., “The effect of lanthanoid defects on anionic solvation of Li in Li6.5La2+xZr1.5Ta0.5O12 from x = 0 to x = 1.2 garnet“, Solid State Ionics, December 09, 2019, DOI: 10.1016/j.ssi.2019.115170. View

Wang, H.; Feng, X.; Chen, Y.; Liu, Y. S.; Han, K. S.; Zhou, M.; Engelhard, M. H.; Murugesan, V.; Assary, R. S.; Liu, T.; Henderson, W.; Nie, Z.; Gu, M.; Xiao, J.; Wang, C.; Persson, K. A.; Mei, D.; Zhang, J. G.; Mueller, K. T.; Guo, J.; Zavadil, K. R.; Shao, Y.; Liu, J., “Reversible electrochemical interface of Mg metal and conventional electrolyte enabled by intermediate adsorption“, ACS Energy Letters, December 04, 2019, DOI: 10.1021/acsenergylett.9b02211. View

Tan, R.; Wang, A.; Malpass-Evans, R.; Zhao, E. W.; Liu, T.; Ye, C.; Zhou, X.; Darwich, B. P.; Fan, Z.; Turcani, L.; Jackson, E.; Chen, L.; Chong, S. Y.; Li, T.; Jelfs, K. E.; Cooper, A. I.; Brandon, N. P.; Grey, C. P.; McKeown, N. B.; Song, Q., “Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage“, Nature Materials, December 02, 2019, DOI: 10.1038/s41563-019-0536-8. View

Jiang, L.; Liu, L.; Yue, J.; Zhang, Q.; Zhou, A.; Borodin, O.; Suo, L.; Li, H.; Chen, L.; Xu, K.; Hu, Y. S., “High-Voltage Aqueous Na-Ion Battery Enabled by Inert-Cation-Assisted Water-in-Salt Electrolyte“, Advanced Materials, November 29, 2019, DOI: 10.1002/adma.201904427. View

Forner-Cuenca, A.; Brushett, F. R., “Engineering porous electrodes for next-generation redox flow batteries: recent progress and opportunities“, Current Opinion in Electrochemistry, November 20, 2019, DOI: 10.1016/j.coelec.2019.11.002. View

Zhang, D.; Forner-Cuenca, A.; Taiwo, O. O.; Yufit, V.; Brushett, F. R.; Brandon, N. P.; Gu, S. Cai, Q., “Understanding the role of the porous electrode microstructure in redox flow battery performance using an experimentally validated 3D pore-scale lattice Boltzmann model“, Journal of Power Sources, November 18, 2019, DOI: 10.1016/j.jpowsour.2019.227249. View

Li, Z.; Bouchal, R.; Mendez-Morales, T.; Rollet, A. L.; Rizzi, C.; Le Vot, S.; Favier, F.; Rotenberg, B.; Borodin, O.; Fontaine, O.; Salanne, M., “Transport Properties of Li-TFSI Water-in-Salt Electrolytes“, Journal of Physical Chemistry B, November 14, 2019, DOI: 10.1021/acs.jpcb.9b08961. View

Zhang, Z.; Roy, P. N.; Li, H.; Avdeev, M.; Nazar, L. F., “Coupled Cation-Anion Dynamics Enhances Cation Mobility in Room Temperature Superionic Solid-State Electrolytes“, Journal of the American Chemical Society, November 08, 2019, DOI: 10.1021/jacs.9b09343. View

Loo, W. S.; Mongcopa, K. I.; Gribble, D. A.; Faraone, A. A.; Balsara, N. P., “Investigating the Effect of Added Salt on the Chain Dimensions of Poly(ethylene oxide) through Small-Angle Neutron Scattering“, Macromolecules, November 07, 2019, DOI: 10.1021/acs.macromol.9b01509. View

Halder, A.; Ngo, A. T.; Luo, X.; Wang, H. H.; Wen, J.; Abbasi, P.; Asadi, M.; Zhang, C.; Miller, D. J.; Zhang, D.; Lu, J.; Redfern, P. C.; Lau, K. C.; Amine, R.; Assary, R. S.; Lee, Y. J.; Salehi-Khojin, A.; Vajda, S.; Amine, K.; Curtiss, L. A., “In Situ Formed Ir3Li Nanoparticles as Active Cathode Material in Li-Oxygen Batteries“, Journal of Physical Chemistry A, October 28, 2019, DOI: 10.1021/acs.jpca.9b06875. View

Xu, K., “A Long Journey of Lithium: From the Big Bang to Our Smartphones“, Energy & Environmental Materials, October 28, 2019, DOI: 10.1002/eem2.12057. View

He, C.; Christensen, P. R.; Seguin, T. J.; Dailing, E. A.; Wood, B. M.; Walde, R. K.; Persson, K. A.; Russell, T. P.; Helms, B. A., “Conformational Entropy as a Means to Control the Behavior of Poly(diketoenamine) VitrimersIn and Out of Equilibrium“, Angewandte Chemie, October 15, 2019, DOI: 10.1002/anie.201912223. View

Liu, Y.; Jia, Y.; Wu, Q.; Moore, J. S., “Architecture-Controlled Ring-Opening Polymerization for Dynamic Covalent Poly(disulfide)s“, Journal of the American Chemical Society, October 11, 2019, DOI: 10.1021/jacs.9b08957. View

Baran, M. J.; Braten, M. N.; Sahu, S.; Baskin, A.; Meckler, S. M.; Li, L.; Maserati, L.; Carrington, M. E.; Chiang, Y. M.; Prendergast, D.; Helms, B. A., “Design Rules for Membranes from Polymers of Intrinsic Microporosity for Crossover-free Aqueous Electrochemical Devices“, Joule, October 10, 2019, DOI: 10.1016/j.joule.2019.08.025. View

Eisenberg, R.; Gray, H. B.; Crabtree, G. W., “Addressing the challenge of carbon-free energy“, Proceedings of the National Academy of Sciences, October 07, 2019, DOI: 10.1073/pnas.1821674116. View

Kim, K.; Siegel, D. J., “Predicting Wettability and the Electrochemical Window of Lithium Metal/Solid Electrolyte Interfaces“, ACS Applied Materials & Interfaces, October 02, 2019, DOI: 10.1021/acsami.9b13311. View

Zhang, Z.; Zou, Z.; Kaup, K.; Xiao, R.; Shi, S.; Avdeev, M.; Hu, Y. S.; Wang, D.; He, B.; Li, H.; Huang, X.; Nazar, L. F.; Chen, L., “Correlated Migration Invokes Higher Na+‐Ion Conductivity in NaSICON‐Type Solid Electrolytes“, Advanced Energy Materials, October 01, 2019, DOI: 10.1002/aenm.201902373. View

Yang, M.; Liu, K.; Shkrob, I. A.; Liao, C., “Redox-active polymers (redoxmers) for electrochemical energy storage“, MRS Communications, September 16, 2019, DOI: 10.1557/mrc.2019.122. View

Hu, J. Z.; Jaegers, N. R.; Chen, Y.; Han, K. S.; Wang, H.; Murugesan, V.; Mueller, K. T., “Adsorption and thermal decomposition of electrolytes on nanometer magnesium oxide: An in situ 13C MAS NMR study“, ACS Applied Materials & Interfaces, September 10, 2019, DOI: 10.1021/acsami.9b11888. View

Yan, Y.; Robinson, S. G.; Sigman, M. S.; Sanford, M. S., “Mechanism-Based Design of a High-Potential Catholyte Enables a 3.2 V All-Organic Nonaqueous Redox Flow Battery“, Journal of the American Chemical Society, September 10, 2019, DOI: 10.1021/jacs.9b07345. View

Yang, Z.; Darling, R. M.; Perry, M. L., “Electrolyte Compositions in a Vanadium Redox Flow Battery Measured with a Reference Cell“, Journal of the Electrochemical Society, September 09, 2019, DOI: 10.1149/2.1161913jes. View

Shah, D. B.; Kim, H. K.; Nguyen, H. Q.; Srinivasan, V.; Balsara, N. P., “Comparing Measurements of Limiting Current of Electrolytes with Theoretical Predictions up to the Solubility Limit“, Journal of Physical Chemistry C, September 04, 2019, DOI: 10.1021/acs.jpcc.9b07121. View

Cao, C.; Shyam, B.; Wang, J.; Toney, M. F.; Steinruck, H. G., “Shedding X-ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries“, Accounts of Chemical Research, September 03, 2019, DOI: 10.1021/acs.accounts.9b00233. View

Ferrara, M.; Chiang, Y. M.; Deutch, J. M., “Demonstrating Near-Carbon-Free Electricity Generation From Renewables and Storage“, Joule, August 28, 2019, DOI: 10.1016/j.joule.2019.08.007. View

Ward, L.; Blaiszik, B.; Foster, I.; Assary, R. S.; Narayanan, B.; Curtiss, L., “Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations“, MRS Communications, August 27, 2019, DOI: 10.1557/mrc.2019.107. View

Ahmadiparidari, A.; Warburton, R. E.; Majidi, L.; Asadi, M.; Chamaani, A.; Jokisaari, J. R.; Rastegar, S.; Hemmat, Z.; Sayahpour, B.; Assary, R. S.; Narayanan, B.; Abbasi, P.; Redfern, P. C.; Ngo, A.; Voros, M.; Greeley, J.; Klie, R.; Curtiss, L. A.; Salehi-Khojin, A., “A Long-Cycle-Life Lithium–CO2 Battery with Carbon Neutrality“, Advanced Materials, August 22, 2019, DOI: 10.1002/adma.201902518. View

Shyamsunder, A.; Blanc, L. E.; Assoud, A.; Nazar, L. F., “Reversible Calcium Plating and Stripping at Room Temperature Using a Borate Salt“, ACS Energy Letters, August 22, 2019, DOI: 10.1021/acsenergylett.9b01550. View

Seth, S.; Vaid T. P.; Matzger, A. J., “Salt loading in MOFs: solvent-free and solvent-assisted loading of NH4NO3 and LiNO3 in UiO-66“, Dalton Transactions, August 21, 2019, DOI: 10.1039/c9dt02489a. View

Gigli, M.; Kowalski, J. A.; Neyhouse, B. J.; D’Epifanio, A.; Brushett, F. R.; Licoccia, S., “Investigating the factors that influence resistance rise of PIM-1 membranes in nonaqueous electrolytes“, Electrochemistry Communications, August 21, 2019, DOI: 10.1016/j.elecom.2019.106530. View

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

Ziegler, M. S.; Mueller, J. M.; Pereira, G. D.; Song, J.; Ferrara, M.; Chiang, Y. M.; Trancik, J. E., “Storage Requirements and Costs of Shaping Renewable Energy Toward Grid Decarbonization“, Joule, August 07, 2019, DOI: 10.1016/j.joule.2019.06.012. 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

Yang, Y.; Davies, D. M.; Yin, Y.; Borodin, O.; Lee, J. Z.; Fang, C.; Olguin, M.; Zhang, Y.; Sablina, E. S.; Wang, X.; Rustomji, C. S.; Meng, Y. S., “High-Efficiency Lithium-Metal Anode Enabled by Liquefied Gas Electrolytes“, Joule, July 01, 2019, DOI: 10.1016/j.joule.2019.06.008. 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

Raberg, J. H.; Vatamanu, J.; Harris, S. J.; van Oversteed, C. H. M.; Ramos, A.; Borodin, O.; Cuk, T., “Probing Electric Double-Layer Composition via in Situ Vibrational Spectroscopy and Molecular Simulations“, Journal of Physical Chemistry Letters, May 29, 2019, DOI: 10.1021/acs.jpclett.9b00879. View

Bedrov, D.; Piquemal, J. P.; Borodin, O.; MacKerell, A. D.; Roux, B.; Schroder, C., “Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields“, Chemical Reviews, May 29, 2019, DOI: 10.1021/acs.chemrev.8b00763. 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

Deivanayagam, R.; Ingram, B.; Shahbazian-Yassar, R., “Progress in development of electrolytes for magnesium batteries“, Energy Storage Materials, May 22, 2019, DOI: 10.1016/j.ensm.2019.05.028. 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. View

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. View

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. View

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Latest Updates

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  • A Message from JCESR Director George Crabtree

    Despite the coronavirus challenges, JCESR continues to push the frontier of energy storage science as we telecommute from home, like much of the nation. We are turning our attention to computation, data analysis and paper writing which continues at a normal or higher pace, enabled … Read More

  • You’re invited: Idaho National Laboratory and JCESR webinar on energy storage (March 18 )

    Electrification is changing the energy landscape of the Mountain West region. While energy storage remains a key enabler to this transformation, infrastructure upgrade and supply chain development will be a key driver for this new economy. Join us on March 18 for a webinar where we’ll … Read More

  • Direct Nano-Synthesis Methods Notably Benefit Mg-Battery Cathode Performance

    A novel Mg cathode material – CuCo2S4 – was identified as a conversion material where direct nano-synthesis was required to provide the best electrochemical performance and deliver 350 mAh·g-1 at 60 °C, a capacity nearly double that of ball-milled material with similar dimensions. Read More

  • Quantifying Capacity Losses due to Solid Electrolyte Interphase Evolution

    We quantified the capacity loss originating in solid electrolyte interphase (SEI) growth during each cycle and extracted the proportionality constant for SEI growth following a parabolic growth law. This continuous SEI growth contributes to the increasing overpotential, leading to capacity fading at a given constant … Read More

  • On Lifetime and Cost of Redox-Active Organics for Aqueous Flow Batteries

    In this viewpoint, we recommend methodology for (1) testing aqueous organic flow batteries to better understand the fade mechanisms and failure modes, and for (2) techno-economic assessment of these batteries that incorporates the costs associated with electrolyte decay and replacement to articulate a feasible design … Read More