Published Papers – 2015

DeWitt, S., Hahn, N., Zavadil, K., and Thornton, K., “Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium”, J. Electrochem. Soc., December 30, 2015, DOI: 10.1149/2.0781603jes. View

Villaluenga, I., Wujcik, K.H., Tong, W., Devaux, D., Wong, D.H.C., DeSimone, J.M., and Balsara, N.P., “Compliant Glass-Polymer Hybrid Single-Ion-Conducting Electrolytes for Lithium Batteries”, Proceedings of the National Academy of Sciences, December 26, 2015, DOI: 10.1073/pnas.1520394112. View

Gerber, L.C.H., Frischmann, P.D., Fan, F.Y., Doris, S.E., Qu, X. Scheuermann, A.M., Persson, K., Chiang, Y-M. Helms, B.A., “3-Dimensional Growth of Li2S in Lithium-Sulfur Batteries Promoted by a Redox Mediator”, Nano Letters, December 21, 2015, DOI: 10.1021/acs.nanolett.5b04189. View

Zhai, D., Lau, K.C., Wang, H.H., Wen, J., Miller, D.J., Kang, F., Li, B., Zavadil, K., Curtiss, L.A., “The Effect of Potassium Impurities Deliberately Introduced into Activated Carbon Cathodes on the Performance of Lithium–Oxygen Batteries”, CHEMSUSCHEM, December 21, 2015, DOI: 10.1002/cssc.201500960. View

Incorvati, J. T., Wan, L. F., Key, B., Zhou, D., Liao, C., Fuoco, L., Holland, M., Wang, H., Prendergast, D., Poeppelmeier, K. R., Vaughey, J. T. , “Reversible Magnesium Intercalation into a Layered Oxyfluoride Cathode”, Chemistry of Materials, December 18, 2015, DOI: 10.1021/acs.chemmater.5b02746. View

See, K.A., Chapman, K.W., Zhu, L., Wiaderek, K.M., Borkiewicz, O.J., Barile, C.J., Chupas, P.J., and Gewirth, A.A., “The Interplay of Al and Mg Speciation in Advanced Mg Battery Electrolyte Solutions”, Journal of the American Chemical Society, December 16, 2015, DOI: 10.1021/jacs.5b10987. View

Dai, Y., and Srinivasan, V., “On graded electrode porosity as a design tool for improving the energy density of batteries”, Journal of The Electrochemical Society, December 15, 2015, DOI: 10.1149/2.0301603jes. View

Huffa, L. A., Tavassola, H., Esbenshadea, J. L., Xing, W., Chiang, Y-M, Gewirth, A. A., “Identification of Li-ion battery SEI compounds through 7Li and 13C solid-state MAS NMR Spectroscopy and MALDI-TOF Mass Spectrometry”, ACS Applied Materials and Interfaces, December 14, 2015, DOI: 10.1021/acsami.5b08902 . View

Crabtree, G., Kocs, E., Trahey, L., “The Energy-Storage Frontier: Lithium-ion Batteries and Beyond”, MRS Bulletin, December 14, 2015, DOI: 10.1557/mrs.2015.259. View

Wan C, MY Hu, O Borodin, J Qian, Z Qin, J Zhang, and JZ Hu, “Natural Abundance 17O, 6Li NMR and Molecular Modeling Studies of the Solvation Structures of LiFSI/DME Liquid Electrolytes”, Journal of Power Sources, December 12, 2015, DOI: 10.1016/j.jpowsour.2015.12.120. View

Welland, M.J., Lau, K. C., Redfern, P.C., Liang, L., Zhai, D., Wolf, D., Curtiss, L.A., “An atomistically informed mesoscale model for growth and coarsening during discharge in lithium-oxygen batteries”, Journal of Chemical Physics, December 10, 2015, DOI: DOI: 10.1063/1.4936410. View

Su, L., Darling, R.M., Gallagher, K.G., Xie, W., Thelen, J., Cheng, K., Moore, J.S., and Brushett, F.R., “An Investigation of the Ionic Conductivity and Species Crossover of Lithiated Nafion 117 in Nonaqueous Electrolytes “, Journal of the Electrochemical Society, December 09, 2015, DOI: 10.1149/2.03211601jes. View

Feng, Z., Chen, X., Qiao, L., Lipson, A. L., Fister, T. T., Zeng, L., Kim, C., Yi, T., Sa, N., Proffit, D. L., Burrell, A. K., Cabana, J., Ingram, B. J., Biegalski, M. D., Bedzyk, M. J., and Fenter, P.A., “Phase-Controlled Electrochemical Activity of Epitaxial Mg-Spinel Thin Films”, ACS Appl. Mater. Interfaces, December 07, 2015, DOI: 10.1021/acsami.5b09346. View

Arbabzadeh, M., Johnson, J.X., Keoleian, G.A., Rasmussen, P.G., Thompson, L.T., “Twelve Principles for Green Energy Storage in Grid Applications”, Environmental Science and Technology, December 05, 2015, DOI: 10.1021/acs.est.5b03867. View

Zhai, D., Lau, K. C., Wang, H.-H., Kang, F., Li, B., Zavadil, K., and Curtiss, L. A., “Effect of deliberately introduced potassium impurities into cathode materials on the electrochemical performance of a Li-O2 battery”, ChemSusChem, December 02, 2015, DOI: 10.1002/cssc.201500960. View

George Crabtree, Elizabeth Kocs, and Lynn Trahey, “The Energy-Storage Frontier: Lithium-ion Batteries and Beyond,” MRS Bulletin, December, 2015, DOI: 10.1557/mrs.2015.259. View

Thelen, J.L., Wu, S.L., Javier, A.E., Srinivasan, V., Balsara, N.P., “Relationship between Mobility and Lattice Strain in Electrochemically Doped Poly(3-hexylthiophene)”, Macro Letters, November 25, 2015, DOI: 10.1021/acsmacrolett.5b00827. View

Lipson, A. L., Pan, B., Lapidus, S. H., Liao, C., Vaughey, J. T., Ingram, B. J., “Rechargeable Ca-ion Batteries: A New Energy Storage System”, Chemistry of Materials, November 24, 2015, DOI: 10.1021/acs.chemmater.5b04027. View

Hu, J. Z., Zhao, Z., Hu, M. Y., Feng, J., Deng, X., Chen, X., Xu, W., Liu, J., and Zhang, J.-G., “In situ 7Li and 133Cs NMR Investigations on the Role of Cs+ Additive in Lithium-Metal Deposition Process “, J. Power Sources, November 21, 2015, DOI: 10.1016/j.jpowsour.2015.10.067. View

Burgess, M., Hernandez-Burgos, K., Simpson, B.H., Lichtenstein, T., Avetian, S., Nagarjuna, G., Cheng, K.J., Moore, J.S., and Rodriguez-Lopez, J., “Scanning Electrochemical Microscopy and Hydrodynamic Voltammetry Investigation of Charge Transfer Mechanisms on Redox Activer Polymers”, J. Electrochemical Society, November 09, 2015, DOI: 10.1149/2.0021604jes. View

Rupkey, S., “Strategy of the Joint Center for Energy Storage Research to Influence Laboratory Safety Among Its Funded Researchers”, J. Chemical Health and Safety, October 30, 2015, DOI: 10.1016/j.jchas.2015.10.003. View

Sevov, C., Brooner, R., Chenard, E., Assary, R., Moore, J., Rodríguez-López, J., and Sanford, M., “Evolutionary Design of Low-Molecular Weight Organic Anolyte Ma-terials for Applications in Non-Aqueous Redox Flow Batteries”, J. Am. Chem. Soc., October 30, 2015, DOI: 10.1021/jacs.5b09572. View

Canepa, P., Jayaraman, S., Cheng, L., Rajput, N. N., Richards, W. D., Curtiss, L. A., Persson, K. A., Ceder, G. , “Elucidating the Structure of the Magnesium Aluminum Chloride Complex (MACC) electrolyte for Magnesium-ion batteries”, Energy & Environmental Science, October 27, 2015, DOI: 10.1039/c5ee02340h. View

Zhang, Y., Xue, L., Khabaz, F., Doerfler, R., Quitevis, E.L., Khare, R., and Maginn, E.J., “Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids”, Journal of Physical Chemistry, October 27, 2015, DOI: 10.1021/acs.jpcb.5b08245. View

Apblett, C. A., Stewart, D. M., Fryer, R. T., Sell, J. C., Pratt III, H. D., Anderson, T. M., Meulenberg, R. W., “In situ XANES and EXAFS Analysis of Redox Active Fe Center Ionic Liquids”, Acta Electrochimica, October 23, 2015, DOI: 10.1016/j.electacta.2015.09.093. View

Balsara, N.P., and Newman, J., “”Relationship between Steady-State Current in Symmetric Cells and Transference Number of Electrolytes Comprising Univalent and Multivalent Ions””, Journal of The Electrochemical Society, October 16, 2015, DOI: 10.1149/2.0651514jes. View

Cabrera, P. J.; Yang, X.; Suttil, J. A.; Brooner, R. E. M.; Thompson, L. T.; Sanford, M. S., “Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry”, Inorganic Chemistry, October 15, 2015, DOI: 10.1021/acs.inorgchem.5b01328. View

Xie, W, Darling, R.M., Perry, M.L., “Processing and Pretreatment Effects on Vanadium Transport in Nafion Membranes”, Journal of The Electrochemical Society, October 13, 2015, DOI: 10.1149/2.0111601jes. View

Chapman, K.W., Lapidus, S.H., Chupas, P.J., “Applications of principal component analysis to pair distribution function data”, Journal of Applied Crystallography, October 13, 2015, DOI: 10.1107/S1600576715016532. View

Li, W., Liang, Z., Lu, Z., Tao, X., Liu, K., Yao, H., and Cui, Y., “Magnetic Field-Controlled Lithium Polysulfide Semiliquid Battery with Ferrofluidic Properties”, Nano Letters, September 30, 2015, DOI: 10.1021/acs.nanolett.5b02818. View

Yingwen Cheng, Yuyan Shao, Lucas R. Parent, Maria L. Sushko, Guosheng Li, Peter V. Sushko, Nigel D. Browning, Chongmin Wang, and Jun Liu, “Interface Promoted Reversible Mg Insertion in Nanostructured Tin–Antimony Alloys,” Advanced Materials,” September 30, 2015, DOI: 10.1002/adma.201502378. View

Jakub S.-Jirkovsky, Ram Subbaraman, Dusan Strmcnik, Katharine L. Harrison, Charles E. Diesendruck, Rajeev S. Assary, Otakar Frank, Lukáš Kobr, Gustav K.H. Wiberg, Bostjan Genorio, Justin G. Connell, Pietro Papa Lopes, Vojislav Stamenkovic, Larry A Curtiss, Jeffrey S. Moore, Kevin R. Zavadil, and Nenad M. Markovic, “Water as a Promoter and Catalyst for Dioxygen Electrochemistry in Aqueous and Organic Media,” ACS Catalysis, September 30, 2015, DOI: 10.1021/acscatal.5b01779. View

Phillips, P.J., Bareno, J., Li, Y., Abraham, D.P., Klie, R.F., “On the Localized Nature of the Structural Transormations of Li2MnO3 Following Electrochemical Cycling”, Advanced Energy Materials, September 28, 2015, DOI: 10.1002/aenm.201501252. View

Jennifer L. Esbenshade, Christopher J. Barile, Timothy T. Fister, Kimberly L. Bassett, Paul Fenter, Ralph G. Nuzzo, and Andrew A. Gewirth, “Improving Electrodeposition of Mg through an Open Circuit Potential Hold,” The Journal of Physical Chemistry C, Article, September 22, 2015, DOI: 10.1021/acs.jpcc.5b07825. View

Frischmann, P.D.; Gerber, L.C.H.; Doris, S.E.; Tsai, E.Y.; Fan, F.Y.; Qu, X.; Jain, A.; Persson, K.A.; Chiang, Y.-M.; Helms, B.A., “Supramolecular Perylene Bisimide-Polysulfide Gel Networks as Nanostructured Redox Mediators in Dissolved Polysulfide Lithium-Sulfur Batteries”, Chem. Mater., September 15, 2015, DOI: 10.1021/acs.chemmater.5b02955. View

Eric Kazyak, Kevin N. Wood, and Neil P. Dasgupta, “Improved Cycle Life and Stability of Lithium Metal Anodes through Ultrathin Atomic Layer Deposition Surface Treatments,” Chemistry of Materials, 2015, 27 (18), pp 6457–6462, September 11, 2015, DOI: 10.1021/acs.chemmater.5b02789. View

Adriana A. Rojas, Sebnem Inceoglu, Nikolaus G. Mackay, Jacob L. Thelen, Didier Devaux, Gregory M. Stone, and Nitash P. Balsara, “Effect of Lithium-Ion Concentration on Morphology and Ion Transport in Single-Ion-Conducting Block Copolymer Electrolytes,” Macromolecules, 2015, 48 (18), pp 6589–6595, September 4, 2015, DOI: 10.1021/acs.macromol.5b01193. View

Heng-Liang Wu, Laura A. Huff, Jennifer L. Esbenshade, and Andrew A. Gewirth, “In Situ EQCM Study Examining Irreversible Changes the Sulfur–Carbon Cathode in Lithium–Sulfur Batteries,” ACS Applied Materials and Interfaces, 2015, 7 (37), pp 20820–20828, August 28, 2015, DOI: 10.1021/acsami.5b05955. View

Katharine L. Harrison, Laura B. Biedermann, and Kevin R. Zavadil, “Mechanical Properties of Water-Assembled Graphene Oxide Langmuir Monolayers: Guiding Controlled Transfer,” Langmuir, 2015, 31 (36), pp 9825–9832, August 24, 2015, DOI: 10.1021/acs.langmuir.5b01994. View

Zhu, Z., Zhou, Y., Yan, P., Vemuri, R.S., Xu, W., Zhao, R., Wang, X., Thevuthasan, S., Baer, D.R., Wang, C-M., “In Situ Mass Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries”, Nano Letters, August 19, 2015, DOI: 10.1021/acs.nanolett.5b02479. View

Liwen F. Wan, Brian R. Perdue, Christopher A. Apblett, and David Prendergast, “Mg Desolvation and Intercalation Mechanism at the Mo6S8 Chevrel Phase Surface,” Chemistry of Materials, 2015, 27 (17), pp 5932–5940, August 14, 2015, DOI: 10.1021/acs.chemmater.5b01907. View

Florian Thöle, Liwen F. Wan, and David Prendergast, “Re-examining the Chevrel Phase Mo6S8 Cathode for Mg Intercalation From an Electronic Structure Perspective,” Physical Chemistry Chemical Physics, 2015,17, 22548-22551, August 12, 2015, DOI: 10.1039/C5CP03046C. View

David J. Wetzel, Marvin A. Malone, Richard T. Haasch, Yifei Meng, Henning Vieker, Nathan T. Hahn, Armin Gölzhäuser, Jian-Min Zuo, Kevin R. Zavadil, Andrew A. Gewirth, and Ralph G. Nuzzo, “Passivation Dynamics in the Anisotropic Deposition and Stripping of Bulk Magnesium Electrodes During Electrochemical Cycling,” ACS Applied Materials and Interfaces, 2015, 7 (33), pp 18406–18414, August 10, 2015, DOI: 10.1021/acsami.5b04487. View

Frank Y. Fan, W. Craig Carter and Yet-Ming Chiang, “Mechanism and Kinetics of Li2S Precipitation in Lithium–Sulfur Batteries,” Advanced Materials, Volume 27, Issue 35, pp 5203–5209, August 10, 2015, DOI: 10.1002/adma.201501559. View

Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Gopalakrishnan Sai Gautam, Miao Liu, Anubhav Jain, Kristin Persson, and Gerbrand Ceder, “Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures,” Chemistry of Materials, 2015, 27 (17), pp 6016–6021, August 5, 2015, DOI: 10.1021/acs.chemmater.5b02342. View

Changyi Li, Ashleigh L. Ward, Sean E. Doris, Tod A. Pascal, David Prendergast, and Brett A. Helms, “Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow Batteries,” Nano Letters, 2015, 15 (9), pp 5724–5729, August 3, 2015, DOI: 10.1021/acs.nanolett.5b02078. View

Seungbum Ha and Kevin G. Gallagher, “Estimating the System Price of Redox Flow Batteries for Grid Storage,” Journal of Power Sources, Volume 296, pp 122–132, July 28, 2015, DOI: 10.1016/j.jpowsour.2015.07.004. View

Robert Darlinga, Kevin Gallagher, Wei Xie, Liang Su, and Fikile Brushett, “Transport Property Requirements for Flow Battery Separators,” The Journal of The Electrochemical Society, Volume 163, Issue 1, A5029-A5040, July 23, 2015, DOI: 10.1149/2.0051601jes. View

Yong Zhang, Akihito Otani, and Edward J. Maginn, “Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method,” The Journal of Chemical Theory and Computation, 2015, 11 (8), pp 3537–3546, July 23, 2015, DOI: 10.1021/acs.jctc.5b00351. View

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Rahul Malik, Miao Liu, Kristin Persson and Gerbrand Ceder, “First-principles Evaluation of Multi-valent Cation Insertion into Orthorhombic V2O5,” Chemical Communications, 2015,51, 13619-13622, July 22, 2015, DOI: 10.1039/C5CC04947D. View

Robert M. Darling, Adam Z. Weber, Michael C. Tucker, and Mike L. Perry, “The Influence of Electric Field on Crossover in Redox-Flow Batteries,” The Journal of The Electrochemical Society, Volume 163, Issue 1, A5014-A5022, July 15, 2015, DOI: 10.1149/2.0031601jes. View

Sanja Tepavcevic, Yuzi Liu, Dehua Zhou, Barry Lai, Jorg Maser, Xiaobing Zuo, Henry Chan, Petr Krá, Christopher S. Johnson, Vojislav Stamenkovic, Nenad M. Markovic, and Tijana Rajh, “Nanostructured Layered Cathode for Rechargeable Mg-Ion Batteries,” ACS Nano, 2015, 9 (8), pp 8194–8205, July 14, 2015, DOI: 10.1021/acsnano.5b02450. View

Mahesh P. Bhatt, Jacob L. Thelen, and Nitash P. Balsara, “Effect of Copolymer Composition on Electronic Conductivity of Electrochemically Oxidized Poly(3-hexylthiophene)-b-poly(ethylene oxide) Block Copolymers,” Chemistry of Materials, 2015, 27 (14), pp 5141–5148, July 14, 2015, DOI: 10.1021/acs.chemmater.5b02085. View

Su, L., Kowalski, J. A., Carroll, K. J., Brushett, F.R., “Recent Developments and Trends in Redox Flow Batteries”, Rechargeable Batteries: Materials, Technologies, and New Trends (book chapter) , July 01, 2015, DOI: 10.1007/978-3-319-15458-9_24. View

Laura C. H. Gerber, Peter D. Frischmann, Teresa E. Williams, Martijn Tichelaar, Erica Y. Tsai, Yi-Sheng Liu, Jinghua Guo,   C. D. Pemmaraju, David Prendergast and Brett A. Helms, “Chemical Doping Enhances Electronic Transport in Networks of Hexabenzocoronenes Assembled in Non-aqueous Electrolyte,” Polymer Chemistry, 2015,6, 5560-5564, June 24, 2015,DOI: 10.1039/C5PY00639B. View

Qiao, L., Jang, J.H., Singh, D. J., Gai, Z., Xiao, H., Mehta, A., Vasudevan, R. K., Tselev, A., Feng, Z., Zhou, H., Li, S., Prellier, W., Zu, X., Liu, Z., Borisevich, A., Baddorf, A. P., Biegalski, M. D., “Dimensionality Controlled Octahedral Symmetry-Mismatch and Functionalities in Epitaxial LaCoO3/SrTiO3 Heterostructures”, Nano Letters, June 23, 2015, DOI: 10.1021/acs.nanolett.5b01471. View

Jinhua Huang, Liang Su, Jeffrey A. Kowalski, John L. Barton, Magali Ferrandon, Anthony K. Burrell, Fikile R. Brushett and   Lu Zhang, “A Subtractive Approach to Molecular Engineering of Dimethoxybenzene-based Redox Materials for Non-aqueous Flow Batteries,” The Journal of Materials Chemistry A, 2015,3, 14971-14976, June 18, 2015, DOI: 10.1039/C5TA02380G. View

Weiyang Li, Hongbin Yao, Kai Yan, Guangyuan Zheng, Zheng Liang, Yet-Ming Chiang and Yi Cui, “The Synergetic Effect of Lithium Polysulfide and Lithium Nitrate to Prevent Lithium Dendrite Growth,” Nature Communications 6, Article Number: 7436, June 17, 2015, DOI:10.1038/ncomms8436. View

Brandon J. Hopkins, Kyle C. Smith, Alexander H. Slocum, Yet-Ming Chiang, “Component-cost and Performance Based Comparison of Flow and Static Batteries,” Journal of Power Sources ,Volume 293, Pages 1032–1038, June 16, 2015, DOI:10.1016/j.jpowsour.2015.06.023. View

Sebastien Kerisit, M. Vijayakumar, Kee Sung Han and Karl T. Mueller, “Solvation Structure and Transport Properties of Alkali Cations in Dimethyl Sulfoxide Under Exogenous Static Electric Fields,” The Journal of Chemical Physics, 142, 224502 (2015), June 9, 2015, DOI: 10.1063/1.4921982. View

Teng-Sing Wei, Frank Y. Fan, Ahmed Helal, Kyle C. Smith, Gareth H. McKinley, Yet-Ming Chiang, and Jennifer A. Lewis, “Biphasic Electrode Suspensions for Li-Ion Semi-solid Flow Cells with High Energy Density, Fast Charge Transport, and Low-Dissipation Flow,” Advanced Energy Materials, Volume 5, Issue 15, June 5, 2015, DOI: 10.1002/aenm.201500535. View

Dipan Kundu, Robert Black, Brian Adams, Katharine Harrison, Kevin Zavadil, and Linda F. Nazar, “Nanostructured Metal Carbides for Aprotic Li–O2 Batteries: New Insights into Interfacial Reactions and Cathode Stability,” The Journal of Physical Chemistry Letters, 2015, 6 (12), pp 2252–2258, June 3, 2015, DOI: 10.1021/acs.jpclett.5b00721. View

Hao Wang, Premkumar Senguttuvana, Danielle L. Proffita, Baofei Pana, Chen Liao, Anthony K. Burrell, John T. Vaughey, and Baris Key, “Formation of MgO during Chemical Magnesiation of Mg-Ion Battery Materials,” ECS Electrochemistry Letters, 2015, Volume 4, Issue 8, A90-A93, June 2, 2015, DOI: 10.1149/2.0051508eel. View

Pablo J. Cabrera, Xingyi Yang, James A. Suttil, Krista L. Hawthorne, Rachel E. M. Brooner, Melanie S. Sanford, and Levi T. Thompson, “Complexes Containing Redox Noninnocent Ligands for Symmetric, Multielectron Transfer Nonaqueous Redox Flow Batteries,” The Journal of Physical Chemistry C, 2015, 119 (28), pp 15882–15889, May 28, 2015, DOI: 10.1021/acs.jpcc.5b03582. View

Albert L. Lipson, Danielle L. Proffit, Baofei Pan, Timothy T. Fister, Chen Liao, Anthony K. Burrell, John T. Vaughey, and Brian J. Ingram, “Current Collector Corrosion in Ca-Ion Batteries,” The Journal of The Electrochemical Society, Volume 162, Issue 8, A1574-A1578, May 23, 2015, DOI: 10.1149/2.0811508jes. View

Christopher J. Barile, Ralph G. Nuzzo, and Andrew A. Gewirth, “Exploring Salt and Solvent Effects in Chloride-Based Electrolytes for Magnesium Electrodeposition and Dissolution,” The Journal of Physical Chemistry C, 2015, 119 (24), pp 13524–13534, May 21, 2015, DOI: 10.1021/acs.jpcc.5b03508. View

Anubhav Jain, Shyue Ping Ong, Wei Chen, Bharat Medasani, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter and Kristin A. Persson, “FireWorks: A Dynamic Workflow System Designed for High-throughput Applications,” Concurrency and Computation: Practice and Experience, May 18, 2015, DOI: 10.1002/cpe.3505. View

Aude A. Hubaud, David J. Schroeder, Brian J. Ingram, John S. Okasinski, John T. Vaughey, “Thermal Expansion in the Garnet-type Solid Electrolyte (Li7−xAlx/3)La3Zr2O12 As A Function of Al Content,” The Journal of Alloys and Compounds, Volume 644, pp 804–807, May 14, 2015, DOI: 10.1016/j.jallcom.2015.05.067. View

Weiyang Li, Zheng Liang, Zhenda Lu, Hongbin Yao, Zhi Wei Seh, Kai Yan, Guangyuan Zheng and Yi Cui, “A Sulfur Cathode with Pomegranate-Like Cluster Structure,” Advanced Energy Materials, Volume 5, Issue 16, May 8, 2015, DOI: 10.1002/aenm.201500211. View

Kundu, D., Black, R., Harrison, Zavadil, K., Nazar, L.F., “Nanostructured Mo2C for Aprotic Li-O2 Batteries: New Insights into Interfacial Reactions and Cathode Stability”, Journal Physical Chemistry Letters, May 01, 2015, DOI: 10.1021/acsjpclett.5b00721. View

Gopalakrishnan Sai Gautam, Pieremanuele Canepa, Aziz Abdellahi, Alexander Urban, Rahul Malik, and Gerbrand Ceder, “The Intercalation Phase Diagram of Mg in V2O5 from First-Principles,” Chemistry Materials, 2015, 27 (10), pp 3733–3742, April 28, 2015, DOI: 10.1021/acs.chemmater.5b00957. View

Huilin Pan, Xiaoliang Wei, Wesley A. Henderson, Yuyan Shao, Junzheng Chen, Priyanka Bhattacharya, Jie Xiao, and Jun Liu, “On the Way Toward Understanding Solution Chemistry of Lithium Polysulfides for High Energy Li–S Redox Flow Batteries,” Volume 5, Issue 16, April 27, 2015, DOI: 10.1002/aenm.201500113. View

Jiangfeng Qian, Wu Xu , Priyanka Bhattacharya, Mark Engelhard, Wesley A. Henderson, Yaohui Zhang, Ji-Guang Zhang, “Dendrite-free Li Deposition Using Trace-amounts of Water As An Electrolyte Additive,” Nano Energy, Volume 15, pp 135–144, April 25, 2015, DOI: 10.1016/j.nanoen.2015.04.009. View

Devauxa, D., Harry, K.J., Parkinsond, D.Y., Yuana, R., Hallinane, D.T., MacDowelld, A.A., Balsara, N.P., “Failure Mode of Lithium Metal Batteries with a Block Copolymer Electrolyte Analyzed by X-Ray Microtomography”, Journal of the Electrochemical Society, April 17, 2015, DOI: 10.1149/2.0721507jes. View

James O. Hardin, Thomas J. Ober, Alexander D. Valentine and Jennifer A. Lewis, “Microfluidic Printheads for Multimaterial 3D Printing of Viscoelastic Inks,” Advanced Materials, Volume 27, Issue 21, pp 3279–3284, April 17, 2015, DOI: 10.1002/adma.201500222
View

Chunjoong Kim, Patrick J. Phillips, Baris Key, Tanghong Yi, Dennis Nordlund, Young-Sang Yu, Ryan D. Bayliss, Sang-Don Han, Meinan He, Zhengcheng Zhang, Anthony K. Burrell,Robert F. Klie and Jordi Cabana, “Direct Observation of Reversible Magnesium Ion Intercalation into a Spinel Oxide Host,” Advanced Materials, Volume 27, Issue 22, pp. 3377–3384, April 17, 2015, DOI: 10.1002/adma.201500083. View

Xiaoliang Wei, Wu Xu, Jinhua Huang, Lu Zhang, Eric Walter, Chad Lawrence, M. Vijayakumar, Wesley A. Henderson, Tianbiao Liu, Lelia Cosimbescu, Bin Li, Vincent Sprenkle and Wei Wang, “Radical Compatibility with Nonaqueous Electrolytes and Its Impact on an All-Organic Redox Flow Battery,” Angewandte Chemie International Edition, Volume 54, Issue 30, pp 8684–8687, April 17, 2015, DOI: 10.1002/anie.201501443. View

Jinhua Huang, Nasim Azimi, Lei Cheng, Ilya A. Shkro, Zheng Xue, Junjie Zhang, Nancy L. Dietz Rago, Larry A. Curtiss, Khalil Amine, Zhengcheng Zhang and Lu Zhang, “An Organophosphine Oxide Redox Shuttle Additive That Delivers Long-term Overcharge Protection for 4 V Lithium-ion Batteries,” Journal of Materials Chemistry A, 2015,3, 10710-10714, April 14, 2015, DOI: 10.1039/C5TA01326G. View

Ruiguo Cao, Wu Xu, Dongping Lv, Jie Xiao and Ji-Guang Zhang, “Anodes for Rechargeable Lithium-Sulfur Batteries,” Advanced Energy Materials, Volume 5, Issue 16, April 10, 2015, DOI: 10.1002/aenm.201402273. View

Pieremanuele Canepa, Gopalakrishnan Sai Gautam, Rahul Malik, Saivenkataraman Jayaraman, Ziqin Rong, Kevin R. Zavadil, Kristin Persson, and Gerbrand Ceder, “Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes,” Chemistry of Materials, 2015, 27 (9), pp 3317–3325, April 8, 2015, DOI: 10.1021/acs.chemmater.5b00389. View

Kundu, D., Black, R., Nazar, L., F., “A Highly Active Nanostructured Metallic Oxide Cathode for Aprotic Li-O2 Batteries”, Energy & Environmental Science, April 1, 2015, DOI: 10.1039/C4EE02587C. View

Xiaohui Qu, Anubhav Jain, Nav Nidhi Rajput, Lei Cheng, Yong Zhang, Shyue Ping Ong, Miriam Brafman, Edward Maginn, Larry A. Curtiss, Kristin A. Persson, “The Electrolyte Genome Project: A Big Data Approach In Battery Materials Discovery,” Computational Materials Science, Volume 103, Pages 56–67, April 1, 2015, DOI: 10.1016/j.commatsci.2015.02.050. View

Tyler Olsena and Ken Kamrin, “Modeling Tensorial Conductivity of Particle Suspension Networks,” Soft Matter, 2015, 11, 3875-3883, March 30, 2015, DOI: 10.1039/C5SM00093A. View

Xiqian Yu, Huilin Pan, Yongning Zhou, Paul Northrup, Jie Xiao, Seongmin Bak, Mingzhao Liu, Kyung-Wan Nam, Deyang Qu, Jun Liu, Tianpin Wu and Xiao-Qing Yang, “Direct Observation of the Redistribution of Sulfur and Polysufides in Li–S Batteries During the First Cycle by In Situ X-Ray Fluorescence Microscopy,” Advanced Energy Materials, Volume 5, Issue 16, March 30, 2015, DOI: 10.1002/aenm.201500072. View

David A Welch, B Layla Mehdi, Hannah J Hatchell, Roland Faller, James E Evans, Nigel D Browning, “Using Molecular Dynamics to Quantify the Electrical Double Layer and Examine the Potential for Its Direct Observation In the In-situ TEM,” Advanced Structural and Chemical Imaging, March 25, 2015, DOI: 10.1186/s40679-014-0002-2. View

Jing Liu and Charles W. Monroe, “On the Characterization of Battery Electrolytes with Polarization Cells,” Electrochimica Acta, Volume 167, 10 pp 357–363, March 18, 2015, DOI:10.1016/j.electacta.2015.03.104. View

Jie Xiao, Jian Zhi Hu, Honghao Chen, M. Vijayakumar, Jianming Zheng, Huilin Pan, Eric D. Walter, Mary Hu, Xuchu Deng, Ju Feng, Bor Yann Liaw, Meng Gu, Zhiqun Daniel Deng, Dongping Lu, Suochang Xu, Chongmin Wang, and Jun Liu, “Following the Transient Reactions in Lithium–Sulfur Batteries Using an In Situ Nuclear Magnetic Resonance Technique,” Nano Letters, 2015, 15 (5), pp 3309–3316, March 18, 2015, DOI: 10.1021/acs.nanolett.5b00521. View

Si Hyoung Oh, Brian D. Adams, Boeun Lee and Linda F. Nazar, “Direct, Soft Chemical Route to Mesoporous Metallic Lead Ruthenium Pyrochlore and Investigation of its Electrochemical Properties,” Chemistry of Materials, 2015, 27 (7), pp 2322–2331, March 18, 2015, DOI: 10.1021/cm5034904. View

Xuchu Deng, Mary Y. Hu, Xiaoliang Wei, Wei Wang, Zhong Chen, Jun Liu, and  Jian Zhi Hu, “Natural Abundance 17O Nuclear Magnetic Resonance and Computational Modeling Studies of Lithium Based Liquid Electrolytes,” Journal of Power Sources, March 14, 2015, 285, 146−155, DOI: 10.1016/j.jpowsour.2015.03.091. View

Damla Eroglu, Kevin R. Zavadil, Kevin G. Gallagher, “Critical Link between Materials Chemistry and Cell-Level Design for High Energy Density and Low Cost Lithium-Sulfur Transportation Battery,” The Journal of The Electrochemical Society, 2015, Volume 162, Issue 6, A982-A990. March 10, 2015, DOI: 10.1149/2.0611506jes. View

Baofei Pan, Junjie Zhang, Jinhua Huang, John T. Vaughey, Lu Zhang, Sang-Don Han, Anthony K. Burrell, Zhengcheng Zhang and Chen Liao, “A Lewis Acid-free and Phenolate-based Magnesium Electrolyte for Rechargeable Magnesium Batteries,” Chemical Communications , 2015,51, 6214-6217, March 2, 2015, DOI: 10.1039/C5CC01225B. View

Huang, J., Shkrob, I.A., Wang, P., Cheng, L., Pan, B., He, M., Liao, C., Zhang, Z., Curtiss, L.A., Zhang, L., “1,4-Bis(trimethylsilyl)-2,5-Dimethoxybenzene: A Novel Redox Shuttle Additive for Overcharge Protection in Lithium-Ion Batteries that Doubles as a Mechanistic Chemical Probe”, Journal of Materials Chemistry, February 25, 2015, DOI: 10.1039/C5TA00899AJ. View

B. L. Mehdi, J. Qian, E. Nasybulin, C. Park, D. A. Welch, R. Faller, H. Mehta, W. A. Henderson, W. Xu, C. M. Wang, J. E. Evans, J. Liu, J. -G. Zhang, K. T. Mueller, and N. D. Browning, “Observation and Quantification of Nanoscale Processes in Lithium Batteries by Operando Electrochemical (S)TEM,” Nano Lett. February 23, 2015, 15, 2168−2173, DOI: 10.1021/acs.nanolett.5b00175. View

Jiangfeng Qian, Wesley A. Henderson, Wu Xu, Priyanka Bhattacharya, Mark Engelhard, Oleg Borodin and Ji-Guang Zhang, “High Rate and Stable Cycling of Lithium Metal Anode,” Nature Communications 6, Article number: 6362, February 20, 2015, DOI: 10.1038/ncomms7362. View

Junzheng Chen, Dangxin Wu, Eric Walter, Mark Engelhard, Priyanka Bhattacharya, Huilin Pan, Yuyan Shao, Fei Gao, Jie Xiao, Jun Liu, “Molecular-confinement of Polysulfides within Mesoscale Electrodes for the Practical Application of Lithium Sulfur Batteries,” Nano Energy, Volume 13, Pages 267–274, February 19, 2015, DOI: 10.1016/j.nanoen.2015.01.031. View

Nav Nidhi Rajput, Xiaohui Qu, Niya Sa, Anthony K. Burrell, and Kristin A. Persson, “The Coupling between Stability and Ion Pair Formation in Magnesium Electrolytes from First-Principles Quantum Mechanics and Classical Molecular Dynamics,” The Journal of the American Chemical Society, 2015, 137 (9), pp 3411–3420, February 10, 2015, DOI: 10.1021/jacs.5b01004. View

Haesun Park, Hyun Seung Koh, and Donald J. Siegel, “First-Principles Study of Redox End Members in Lithium–Sulfur Batteries,” The Journal of Physical Chemistry C, 2015, 119 (9), pp 4675–4683, February 9, 2015, DOI: 10.1021/jp513023v. View

E. V. Carino, C. E. Diesendruck, J. S. Moore, L. A. Curtiss, R. S. Assary and F. R. Brushett, “BF3-Promoted Electrochemical Properties of Quinoxaline in Propylene Carbonate,” RSC Advances, February 4, 2015, DOI: 10.1039/C5RA00137D. View

Chen Liao, Niya Sa, Baris Key, Anthony K. Burrell, Lei Cheng, Larry A. Curtiss, John T. Vaughey, Jung-Je Woo, Libo Hu,   Baofei Pan and   Zhengcheng Zhang, “The Unexpected Discovery of the Mg(HMDS)2/MgCl2 Complex as a Magnesium Electrolyte for Rechargeable Magnesium Batteries,” The Journal of Materials Chemistry A, 2015,3, 6082-6087, February 2, 2015, DOI: 10.1039/C5TA00118H. View

Villaluenga, I., Chen, C., Devaux, D., Hallinan, D. T., Balsara, N. P. , “Nanoparticle-Driven Assembly of Highly Conducting Hybrid Block Copolymer Electrolytes”, Macromolecules, January 27, 2015, DOI: 10.1021/ma502234y. View

Dasgupta, N., P., Meng, X., Elam, J. W., Martinson, A., B. F. , “Atomic Layer Deposition of Metal Sulfide Materials”, Acc. Chem. Res., January 12, 2015, DOI: 10.1021/ar500360d. View

Tianbiao Liu, Jonathan T. Cox, Dehong Hu, Xuchu Deng, Jianzhi Hu, Mary Y. Hu, Jie Xiao, Yuyan Shao, Keqi Tang and Jun Liu, A Fundamental Study on the [(μ-Cl)3Mg2(THF)6]+ Dimer Electrolytes for Rechargeable Mg Batteries,” Chemical Communications, 2015, 51, 2312-2315, January 6, 2015, DOI: 10.1039/C4CC07621D
View

Liu, T., Cox, J., T., Hu, D., Deng, X, Hu, J.,  Hu, M., Y., Xiao, J., Shao, Y., Tang. K., Liu, J.  , “A fundamental study on the [(μ-Cl)3Mg2(THF)6]+ dimer electrolytes for rechargeable Mg batteries”, Chem Comm, January 05, 2015, DOI: 10.1039/C4CC07621D. View

J. Chang, R. T. Haasch, T. P. Spila, J. Kim, P. V. Braun, A. A. Gewirth, and R. G. Nuzzo, “The Synergetic Role of Li+ during Mg Electrodeposition/Dissolution in Borohydride Diglyme Electrolyte Solution: Voltammetric Stripping Behaviors on a Pt Microelectrode Indicative of Mg-Li Alloying and Facilitated Dissolution,” ACS Applied Materials & Interfaces, January 5, 2015, DOI: 10.1021/am507375t. View

G. Crabtree, “The Joint Center for Energy Storage Research: A New Paradigm for Battery Research and Development,” Physics of Sustainable Energy III: Using Energy Efficiently and Producing It Renewably, edited by R. H. Knapp et al, AIP Conference Proceedings, vol 1652 (2015), Melville, New York. View

Latest Updates

See All
  • 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