Electrolyte Genome
-
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
-
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
-
Promising Directions and the Tools to Get Us There
At the halfway point in our five-year charter, we have narrowed our research directions within the three promising energy storage concepts we are pursuing: multivalent intercalation, chemical transformation, non-aqueous redox flow. In converging these directions to proof-of-concept prototypes, we make extensive use of JCESR’s distinguishing tools. Read More
-
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
-
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
-
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
-
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
-
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
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
