Latest Updates
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JCESR renewed for another five years
This article was authored by Joseph E. Harmon and first published by Argonne National Laboratory. The U.S. Department of Energy (DOE) today announced its decision to renew the Joint Center for Energy Storage Research (JCESR), a DOE Energy Innovation… Read More
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Importance of Hybrid DFT Functionals for Analysis of Multivalent Ion Mobility in Advanced Cathodes
Highlights the specific importance of the use of more accurate hybrid DFT functionals when exploring the diffusion of Mg ions within α-MoO3, a potential cathode material for multivalent ions. Recommends using computationally more demanding but likely more accurate hybrid DFT in future studies of ion diffusion in transition metal oxide cathodes. Read More
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Role of Structural Hydroxyl Groups in Enhancing Performance of Electrochemically-Synthesized Bilayer V2O5
Structural OH species, an intrinsic feature of electrochemically-synthesized V2O5 (EC-V2O5), are highly thermally and electrochemically stable and are responsible for the improved cycle life and reversible capacity of these materials for beyond-lithium-ion systems. Read More
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Comparing Calendar and Cycle Life Stability of Redox Active Organic Molecules for Nonaqueous Redox Flow Batteries
Cycle and calendar lives are chemical stability metrics that reflect two regimes of redox flow battery use: (i) continuous charge/discharge cycling and (ii) long-term charge storage in external tanks. Here we examine how these two performance metrics are related to each other for negative charge carriers (anolytes) in nonaqueous flow cells. Surprisingly, little correlation was found between these two practically important metrics. Read More
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Evaluation and Refinement of the General AMBER Force Field (GAFF) for Nineteen Organic Electrolyte Solvents
Two efficient optimization methods to develop better parameters for simulating battery electrolytes are described. These new parameters enable one to obtain better agreement with experimental values for key properties such as dielectric constant. Read More
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Tuning Lithium-Sulfur Battery Electrolytes for Improved Performance
The electrolyte of the lithium-sulfur (Li-S) battery was tuned to both overcome the need for a high electrolyte/sulfur ratio and inhibit the lithium dendrite growth on the anode at the same time. Read More
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Rational Design of Stable Multivalent Electrolytes and Interphases
Demonstrated a strategy for expanding the electrochemical stability window for magnesium batteries through predictive anion design while discovering new mechanisms of interphase formation. Read More
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Real-Time Monitoring of Cation Dissolution/Deintercalation Kinetics from Transition-Metal Oxides in Organic Environments
A new method that allows in situ, real-time monitoring of dissolution rates of transition metal cations from oxide cathode hosts, as well as monitoring of deintercalation of the working cation (Li, Mg, Zn, etc.) simultaneously with electrochemical cycling. Read More
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Quantifying the Impact of Viscosity on Mass-transfer Coefficients in Redox Flow Batteries
A methodology for and the results from quantification of the mass-transfer coefficient is demonstrated in the single-electrolyte configuration of JCESR’s Gen-2 cell using a model redox-active electrolyte (RAE) with a tunable viscosity. Read More
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Novel ALD Chemistry Enabled Low-Temperature Synthesis of Lithium Fluoride Coatings for Durable Lithium Anodes
The team developed an atomic layer deposition (ALD) method to deposit lithium fluoride (LiF) films on lithium metal anodes. These LiF films enable a stable Coulombic efficiency as high as 99.5% for over 170 cycles, about 4 times longer than that of bare lithium anodes. Read More
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Synthesis of MgCr2S4 Thiospinel as a Potential Magnesium Cathode
MgCr2S4 was synthesized for the first time. This thiospinel material is predicted to have a high insertion voltage relative to the isostructural MgTi2S4 studied by the center. This synthesis serves as a starting point for making other unknown battery materials. Read More
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Estimating the Cost of Organic Battery Active Materials: A Case Study on Anthraquinone Disulfonic Acid
The cost of anthraquinone disulfonic acid (AQDS) production from anthracene feedstock is estimated based on a proposed series of process steps using three standard algorithms for process cost estimation. Read More
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ZnNixMnxCo2–2xO4 Spinel as a High-Capacity Cathode Material for Nonaqueous Zn-Ion Batteries
A new series of spinels, ZnNixMnxCo2-2xO4, are reported as a high-voltage and high-capacity cathode material for non-aqueous Zn-ion batteries. Mn, Ni co-substitution for Co in ZnCo2O4 is demonstrated to be an efficient method to facilitate Zn-deintercalation and enhance discharge capacity, which provides guidelines for designing more attractive multivalent cathodes materials. Read More
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Tailored Reaction Route by Micropore Confinement for Li-S Batteries under Lean Electrolyte Conditions
Li2S2 is experimentally verified by ex-situ S K‐edge X‐ray absorption spectroscopy to be stable in the micropores during discharging in Li-S cells. A new reversible electrochemical pathway is thus proposed, based on the inherent self‐healing capacity for Li2S2, under lean electrolyte conditions. Read More
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Reaction Pathways for Solvent Decomposition on Magnesium Anodes
Dimethoxyethane (DME) is predicted to rapidly decompose to ethylene gas and other products on the metallic Mg surface, whereas the presence of an oxide or chloride surface film on a Mg anode is predicted to limit solvent decomposition. Read More
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Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review
A review of molecular-level interactions governing multivalent electrolyte behavior is presented. The current understanding of solvation structure, stability and transport properties of electrolytes for secondary Mg, Zn and Ca batteries is critically examined from experimental and theoretical studies. Read More
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Effect of the Backbone Tether on the Electrochemical Properties of Soluble Cyclopropenium Redox-Active Polymers
A series of cyclopropenium polymers were synthesized and evaluated as high potential active material for size-exclusion flow batteries. Read More
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Lithium-Oxygen Battery with Long Cycle Life in a Realistic Air Atmosphere
Advances in materials functionality for Li-O2 electrochemistry have resulted in a Li-O2 battery that is able to run under a realistic air atmosphere with a long cycle life. Read More
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Substituted Thiadiazoles as Energy-rich Anolytes for Nonaqueous Redox Flow Cells
2,1,3-benzothiadiazole (BzNSN) base molecules were derivatized with various electronic groups to achieve the optimal properties as the anolytes in nonaqueous redox flow batteries. It has been observed that the half-life times of those molecules are nicely correlated with redox potentials. Higher redox potentials lead to long life time or calendar life. The relationship of the molecular stability and the corresponding cycling performance was also investigated. Read More
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Elucidating Zn and Mg Electrodeposition Mechanisms in Nonaqueous Electrolytes for Next-Generation Metal Batteries
The development of nonaqeuous electrolytes enabling reversible and efficient deposition/stripping of multivalent metals has been hindered because of the complexity of electrolyte properties and behaviors. Different cations exhibit different deposition efficacy. Our research explores Zn and Mg deposition mechanisms and explains differences between the two cations. Read More