Latest Updates
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Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids
A direct connection between molecular structure and liquid viscosity was made, and the latter was explained based on the former feature. Read More
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Techno-Economic Modeling -- Building New Battery Systems on the Computer
JCESR is applying techno-economic models to project the performance and cost of a wide array of promising new battery systems before they are prototyped. The results from techno-economic modeling establish performance “floors” for discovery science teams looking for new anodes, cathodes, and electrolytes for a beyond lithium-ion battery, identifying those with the potential to meet JCESR’s goal and rejecting those unlikely to be effective. Read More
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Fitting the Lithium-Sulfur Battery with a New Membrane
The lithium-sulfur battery has higher energy storage capacity and lower cost than lithium ion. But there is a serious stumbling block. Polysulfides form in the cathode during battery cycling and pass through the membrane to contaminate the lithium metal anode. This results in a rapid decline in performance. JCESR researchers appear to have found a solution to the problem – the “polymer of intrinsic microporosity” (PIM). Read More
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Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry
Synthesis of 24 Cr-bipyridine complexes across two different oxidation states; their solubility varies from insoluble to 0.7 M. Most of the complexes undergo reversible electrochemistry demonstrating up to six reversible redox couples. Read More
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Thermal Expansion in the Garnet-Type Solid Electrolyte (Li7-xAlx/3)La3Zr2O12 as a Function of Al Content
The study identified the lattice expansion lithium lanthanum zirconium oxide (LLZ), which is an important lithium-metal stable solid-state Li-ion diffusion ceramic membrane as a function of Al-content. Read More
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SC15 High Performance Computing (HPC) Transforms Batteries
A new breakthrough battery—one that has significantly higher energy, lasts longer, and is cheaper and safer—will likely be impossible without a new material discovery. Kristin Persson and other JCESR scientists at Lawrence Berkeley National Laboratory are taking some of the guesswork out of the discovery process with the Electrolyte Genome Project. Read More
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Enhanced Charge Transport in Dissolved Polysulfide Li-S Cells with Supramolecular Redox Mediators
A highly collaborative team of theorists and experimentalists identified a nanostructured redox mediator for soluble polysulfides, synthesized the target compound, electrochemically validate the computations, and demonstrated enhanced current in redox mediated Li-S cells. Read More
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Improved Cycle Life and Stability of Lithium Metal Anodes through Ultrathin ALD Surface Treatments
Li metal foil electrodes treated with ultrathin (~2nm) Al2O3 layers, using Atomic Layer Deposition (ALD), prevent dendrite formation and double the lifetime of the anode before failure under both, galvanostatic deep discharge conditions and cyclic plating/stripping of symmetric Li-Li cells. Read More
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Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries
Deposition of Li metal on copper electrode leads to condensation of solvent molecules around the electrode. Chemically, this layer of solvent condensate tends to be depleted of the salt anions and have reduced concentration of Li+ ions, essentially leading to formation of a lean electrolyte layer adjacent to the electrode and therefore contributing to the cell overpotential. Read More
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Polysulfide-Blocking Polymer Membrane for Li-S Batteries
olymers of Intrinsic Microporosity are harnessed as an ion-selective membrane, effectively blocking polysulfide crossover due to its microporous molecular-sieving network. Read More
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Estimating the System Price of Redox Flow Batteries for Grid Storage
This work conducted a techno-economic analysis of a prospective production process for an aqueous all vanadium flow battery and a nonaqueous lithium polysulfide flow battery. Read More
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Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method
An equilibrium molecular dynamics-based computational method is developed and tested for the reliable calculation of viscosity. Read More
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A Subtractive Approach to Molecular Engineering of Dimethoxybenzene-based Redox Materials for Nonaqueous Flow Batteries
A series of methyl-substituted 1,4-dimethoxybenzene derivatives were developed via a subtractive design approach through reengineering of DBBB. 23DDB and 25DDB demonstrated desirable electrochemical and physical characteristics for nonaqueous redox flow batteries with intrinsic capacities at 161 mAh/g. Read More
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Solvation Structure and Transport Properties of Alkali Cations in Dimethyl Sulfoxide Under Exogenous Static Electric Fields
To predict the behavior of battery electrolyte components, we investigated the role of exogenous electric fields on the solvation structure and dynamics of alkali ions in dimethyl sulfoxide (DMSO). Read More
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Chemical Doping Enhances Electronic Transport in Networks of Hexabenzocoronenes Assembles in Electrolyte
Organic semiconductors provide well-behaved charge transport in the solid state, but have not been studied in solution. Here, it is shown that upon chemical oxidation, hexabenzocoronenes (HBCs) enhance charge transport in non-aqueous electrolyte. Read More
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Biphasic Electrode Suspensions for Li-Ion Semi-Solid Flow Cells with High Energy Density, Fast Charge Transport, and Low-Dissipation Flow
We created biphasic electrode suspensions composed of dispersed active particles and uniformly percolated conductive particles, different from the clustered suspensions using traditional suspension preparation procedures. Read More
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Complexes Containing Redox Non-Innocent Ligands for Symmetric, Multi-Electron Transfer Non-Aqueous Redox Flow Batteries
Designed and synthesized functionalized chromium-bipyridine complexes with high solubilities that undergo up to 6 electron transfers over a ~2 V window Read More
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Current Collector Corrosion in Ca-Ion Batteries
This study identified and verified corrosion of the metallic current collectors in a series of multivalent electrolyte/electrode systems; calcium based systems were shown to be particularly susceptible to corrosion. Read More
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Tesla Tackling Problem of Power Storage: Chamberlain
Jeff Chamberlain and Bloomberg’s David Gura speak on Bloomberg West discussing the potential global impact of Tesla’s announcement of a battery for use in homes and business, the challenge to store renewable energy and the market for a $3,000 battery to power your home. Read More
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Understanding and Manipulating Solution Chemistry of Polysulfides for Lithium Sulfur Batteries
The factors that govern the solubility of various polysulfides were identified. LiTf with strong ionic association strength increases the solubility of short-chain species significantly. A solution Li-S flow cell was demonstrated using LiTf as additive in the polysulfide catholyte. Read More