Electrolyte Genome
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The Electrolyte Genome Project
Traditional chemistry relies on intuition and experience to select a few materials that might work well for new electrolytes. The Electrolyte Genome streamlines this process by evaluating thousands of materials by simulation on the computer and choosing the most promising few for synthesis in the laboratory. Read More
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Redox Mediators that Promote Three-Dimensional Growth of Li2S on Carbon Current Collectors in Lithium-Sulfur Batteries
Developed, from computation and experiment, redox mediators that allow 3-D growth of Li2S on carbon current collectors for greater capacity utilization in Li-S batteries 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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Electrolyte Genome Reveals New Instability Mechanism in Mg Electrolytes
imulations of a matrix of Mg salt and solvent combinations revealed a strong tendency to ion pair formation. Close association of the salt anion and cation within the first solvation shell, even at modest concentrations. Read More
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Accelerating Electrolyte Discovery for Energy Storage with High Throughput Screening
We have developed a strategy to down-select a pool of candidates based on successive property evaluations and to eliminate unpromising candidates at an early stage. Read More
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Realizing the Electrolyte Genome
JCESR is building a highly sophisticated infrastructure for high-throughput evaluation of molecular properties. This involves coupling ab initio DFT methods with rapid classic molecular dynamics, calculations of redox potentials, and solvation structure while more detailed reactivity studies are carried out. Candidates that meet performance metrics for different types of battery applications (redox-flow, Li-air, Li-sulfur and multivalent) are prioritized for synthesis and testing. Read More
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EDL: Discovering Electrochemistry at Atomic and Molecular Levels
Established in situ Electrochemical Discovery Lab (EDL) for systematic studies of wet and dry interfaces for materials-by-design and electrolytes-by-design at atomic and molecular levels Read More
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JCESR researchers testify before the House Science, Space and Technology Committee
JCESR researchers Kristin Persson and Fik Brushett testified May 4 before the House Science, Space and Technology Committee, Subcommittee on Energy, to share how the climate and energy science research sponsored by the Department of Energy’s (DOE) Office of Science … Read More
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The Influence of Current Density on Transport of Vanadium Cations through Membranes with Different Charges
Evaluated the transference numbers of four vanadium cations through positively, negatively, and initially uncharged membranes. Complete data sets collected including conductivity, transference number, and sorption. Read More
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Factors Influencing Preferential Anion Interactions during Solvation of Multivalent Cations in Ether-based Solvents
Discovered and described how solvent structure and cation size influence cation−anion interactions, suggesting that they drive the formation of free ions in ethereal multivalent electrolytes. Read More
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Multivalent Ion Transport in Anti-Perovskite Solid Electrolytes
A comprehensive computational approach is used to discover potential multivalent (MV)-ion conducting solid electrolytes (SEs) based on the anti-perovskite (AP) crystal structure. Read More
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Multivalent Ion Transport in Anti-Perovskite Solid Electrolytes
A comprehensive computational approach is used to discover potential multivalent (MV)-ion conducting solid electrolytes (SEs) based on the anti-perovskite (AP) crystal structure. Read More
