Latest Updates
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Ion Solvation Engineering: How to Manipulate the Multiplicity of the Coordination Environment of Multivalent Ions
Advanced free-energy sampling analysis shows that the multiplicity of thermodynamically stable solvation configurations is a general feature of free divalent cations, their ion-pairs and neutral aggregates in low dielectric solvents. We reveal the macro- and microscopic factors of the solvation multiplicity and show how their interplay can be used to manipulate ion solvation environments and thus the ion solvation-desolvation dynamics. Read More
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Direct observation of cyclic polymer dynamics in shear flow reveals non-equilibrium behavior for flow-based applications
Single ring polymers were directly visualized in the flow-gradient plane of shear flow to understand their dynamic behavior such as tumbling and stretching in flow, as well as the distribution of polymer conformations far-from-equilibrium. Read More
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Oxygen Facilitates Mg2+ Diffusion Through Fe3O4
Controlled processing of carefully designed Fe3O4/MgO heterostructures allowed identification of the Mg2+ diffusion pathways, reaction intermediates, and the key role of the anion in these energy-relevant systems. Read More
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Bis(diisopropylamino)cyclopropenium-arene Cations as High Oxidation Potential and High Stability Catholytes for Nonaqueous Redox Flow Batteries
Development of a new catholyte with both extremely high potential and much improved cycling stability Read More
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Active learning accelerates redox-flow battery discovery
This article was authored by Jared Sagoff and first published by Argonne National Laboratory. By using active learning, scientists are more quickly finding suitable candidates for redox-flow batteries. When it comes time to design a new battery chemistry, scientists only can… Read More
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A Highly Concentrated Electrolyte for High Capacity and Coulombic Efficiency in Li-NCM811 Cells
Replacing a dilute 1 M LiPF6-based electrolyte with a hydrofluoroether (HFE)-modified highly concentrated electrolyte (HCE) stabilizes the Li metal interface and results in higher discharge capacity, Coulombic efficiency, and thermal stability. Read More
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Modeling the Interface Between Lithium Metal and its Native Oxide
The transport of Li+ within the amorphous Li/Li2O interface is predicted to be roughly three orders of magnitude faster than in crystalline Li2O (as determined in the literature). Read More
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High-Voltage Phosphate Cathodes for Rechargeable Ca-Ion Batteries
Two functional polyanionic phosphate materials, NASICON-type NaV2(PO4)3 and olivine-type FePO4, are demonstrated as high voltage Ca-ion battery cathodes for the first time. Read More
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Impact of Frictional Interactions on Electrochemical Properties in Polymer Electrolytes
We introduce a new parameter, b+-, indicating the influence of cation-anion interactions on conductivity. When b+- = 1, which is true in the fluorinated system, only cation-anion interactions determine ionic conductivity. Read More
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X-ray-Induced Lithium Fluoride Formation from Water-in-Salt Electrolytes on Solid Surfaces
LiTFSI/H2O electrolyte interfacial decomposition pathways in the “water-in-salt” (WiSE) and “salt in-water” regimes are investigated using synchrotron X-rays. The resultant photoelectron-induced reduction towards LiF formation was revealed to be occur among closely contact ion-pairs adjacent to the interface. This supports present models behind the WiSE concept. Read More
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Ultrathin Conformal oCVD PEDOT Coatings on Carbon Electrodes Enable Improved Performance of Redox Flow Batteries
An oxidative chemical vapor deposition (oCVD) method is developed to deposit conformal, nanometric coatings on geometrically complex, porous carbon electrodes. Evaluation in a single electrolyte flow cell with an aqueous iron redox couple showed reduced kinetic, ohmic, and mass transport resistance as compared to uncoated samples. Read More
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A Review of Electrochemical Advances in Non-Aqueous Organic Redox Flow Batteries
Advances in electrolytes for non-aqueous redox flow batteries and computational tools for their discovery and prediction are reviewed and explored. Read More
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Realizing high zinc reversibility in rechargeable batteries
The first comprehensive comparison of the ~20 published studies evaluating Zn metal reversibility for rechargeable batteries shows significant variability in published test methods and parameters, and poor alignment toward commercial targets for zinc metal batteries. Significance and Impact Read More
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Seeing Battery Solutions Move to Assess the Health of Batteries
Organic redox-active molecules (redoxmers) are popular for flow battery fluids. Their structural variability comes with other properties that may be tailored for function. We discovered that fluorescence emission can be engineered into redoxmers, which allows real-time tracing of species crossover in a liquid flow cell, a key state of health (SOH) metric. The extracted permeability values show dependence on composition of electrolytes such as salt or redoxmer concentrations. Read More
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Continuum description of the role of negative transference numbers on ion motion in polymer electrolytes
This theoretical study not only reveals time and space dependence of ion motion in the PEO/LiTFSI electrolyte having negative transference number, but also provide guidance to experimentalists seeking to detect the direction of ion motion in these electrolytes. Read More
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Influence of Ether Solvent and Anion Coordination on Electrochemical Behavior in Calcium Battery Electrolytes
Ethereal solvent structure determines Ca2+ solvation structure and the efficiency of calcium metal plating. In a moderate-coordinating solvent such as G1, anion coordination determines whether or not reversible plating takes place while in a strongly coordinating solvent such as G3, calcium plating is frustrated by a rigid solvation shell, regardless of anion. Read More
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Probing calcium solvation by XAS, MD and DFT calculations
The solvation shell structures of Ca2+ in aqueous and organic solutions are probed by calcium L-edge soft X-ray absorption spectroscopy (XAS) and DFT/MD simulations. Read More
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Recent Advancements in Rational Design of Non-Aqueous Organic Redox Flow Batteries
Organic redox-active molecules are considered as next-generation materials for non-aqueous redox-flow batteries (NAqORFBs). In this review, we screen the state-of-art advancements made in NAqORFBs, shed light upon the approaches that lie behind the developments, and detail the areas of particular interest through highlighted examples. Read More
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Electrolytes and Additives for Batteries Part I: Fundamentals and Insights on Cathode Degradation Mechanisms
This part I review serves as a self-contained article that addresses the fundamentals of batteries and cathode degradation mechanisms. Read More
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A High Voltage Mg-ion Battery Cathode via a Solid Solution Cr-Mn Spinel Oxide
The capability of the tailored MgCrMnO4 spinel to (de)intercalate Mg2+ electrochemically at high potentials was evaluated by the theoretical and experimental approaches. High Mg2+ activity was observed in bulk, with a remarkable degree of lattice breathing and reversibility. Read More