Redox Flow
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Pathways to Low-Cost Electrochemical Energy Storage: A Comparison of Aqueous and Nonaqueous Flow Batteries
First comprehensive determination of materials to system level performance and cost for nonaqueous and aqueous flow batteries for future and existing chemistries Read More
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Solubility and Mobility of Ionic Liquid-Derived Ferrocene in Carbonate Electrolytes for Non-Aqueous Redox Flow Batteries
A coupled experimental and computational study of the structure and mobility of ferrocene (Fc) and a derivitized Fc-based ionic compound (Fc1N112-TFSI, see figure for structure) reveals the differences at the molecular level that explain improved electrochemical behavior. Read More
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Redox Chemistry of Anthraquinone Derivatives Via Simulations
Simulations provided the contribution of functional groups toward better electrochemical properties and solubility of Anthraquinone (AQ) derivatives, a promising class of compounds for aqueous and non-aqueous redox flow applications. Read More
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Towards High-Performance Nonaqueous Redox Flow Electrolyte via Ionic Modification of Active Species
Material tailoring led to a significant increase in the solubility of the ferrocene redox material. NMR measurement was able to decode the solvation mechanism and explain the solubility increase of the tailored compound. A Li-graphite hybrid anode enabled the nonaqueous Li/organic cell design to produce decent cyclability at high redox material concentrations and deliver energy density of ~45 Wh/L. 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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Fraction of Theoretical Specific Energy Achieved at Battery Pack Level Is Very Sensitive to the Cell Chemistry
Cell chemistry properties, rather than engineering/packaging approach, are the key factors in determining the fraction of battery material specific energy captured at pack level Read More
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Flow Batteries Enabled by Nanoscale Percolating Conductor Networks
Created novel electronically conductive flow battery electrodes using nanoscale percolation phenomena Read More
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Architecture-Controlled Ring-Opening Polymerization for Dynamic Covalent Poly(disulfide)s
We reported a strategy to access different topologies of redox-active poly(disulfide)s by ring-opening polymerization. Control over polymerization enables synthesis of high molecular-weight polymers. The polymers undergo catalytic depolymerization to recycle monomer; a promising feature for sustainable flow batteries. Read More
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Adsorption and Thermal Decomposition of Electrolytes on Nanometer Magnesium Oxide: An in Situ 13C MAS NMR Study
The structural and chemical evolution of electrolyte constituents at the nanometric MgO surface were identified, providing a fundamental understanding of heterogeneous interphase evolution. Read More
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Mechanism-Based Design of a High-Potential Catholyte Enables a 3.2 V All-Organic Nonaqueous Redox Flow Battery
Development of an extremely high-potential catholyte leads to the first 3.2 V all-organic flow battery. Read More
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Shedding X‑ray Light on the Interfacial Electrochemistry of Silicon Anodes for Li-Ion Batteries
Our results shed light on the interfacial electrochemistry of silicon anodes for Lithium-ion batteries (LiBs), providing important mechanistic insight into nanometer scale phenomena and how these influence battery performance. Read More
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Accelerating Electrolyte Discovery for Energy Storage through Machine Learning
Utilized high performance computing to generate a database of highly accurate quantum chemical energies of 133 K organic molecules and used machine learning to enable prediction of energies from low fidelity, low cost quantum chemical calculations. Read More
