Research Highlights
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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
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Reversible Calcium Plating and Stripping at Room Temperature Using a Borate Salt
Novel low-ion pairing calcium salt developed that enables reversible calcium plating and stripping in 1,2-dimethoxy ethane at room temperature. Read More
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Reversible Calcium Plating and Stripping at Room Temperature Using a Borate Salt
Novel low-ion pairing calcium salt developed that enables reversible calcium plating and stripping in 1,2-dimethoxy ethane at room temperature. Read More
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Tuning the Selectivity and Activity of Electrochemical Interfaces with Defective Graphene Oxide and Reduced Graphene Oxide
A modified Langmuir-Blodgett approach is developed for the deposition of GO and rGO films that enables ex situ engineering of the activity and selectivity of electrochemical interfaces in both aqueous and non-aqueous electrolytes. Read More
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An Organic Super-Electron-Donor as a High Energy Density Negative Electrolyte for Nonaqueous Flow Batteries
A previously reported organic “super-electron-donor” was shown to have several favorable properties for application as an anolyte in nonaqueous flow batteries. Read More
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Roles of inorganic surface layers on solid electrolyte interphase evolution at Li-metal anodes
We uncovered the effects of nanometer-sized lithium oxide, lithium hydroxide, and lithium carbonate as surface passivation layers on the interfacial reactivity of Li-metal anodes. Read More
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Lipophilic Additives for Highly Concentrated Electrolytes in Lithium-Sulfur Batteries
Developed a lipophilic additive, tetrabutylammonium iodide (TBAI), for highly concentrated electrolytes and tested its electrochemical performance in lithium-sulfur batteries. Read More
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“Ion Solvation Spectra”: Free Energy Analysis of Solvation Structures of Multivalent Cations in Aprotic Solvents
Advanced free-energy sampling techniques reveal that monoatomic divalent cations in organic solvents may have multiple well-defined minima or plateaus of free energy with respect to the number of coordinating solvent molecules. We introduce the concept of “ion solvation spectra” to highlight non-trivial phenomenology related to a continuum of ion solvation environments, as opposed to a single coordination minimum. Read More
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Modified Ohm’s Law in Lithium and Beyond-lithium Battery Electrolytes
Battery electrolytes contain two mobile charged species of opposite charge and thus the traditional Ohm’s law, which applies to one mobile charged species, must be modified. This review uses a modified Ohm’s law to rank order electrolytes. 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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Salt nanoconfinement in zirconium-based metal organic frameworks leads to pore-size and loading-dependent ionic conductivity enhancement
The nanoscale confinement of [NEt4][TFSI] in three isostructural MOFs enhanced the conductivity of composites relative to neat [NEt4][TFSI] by up to a factor of 50. The conductivity increases with the increase in pore size and maximum conductivity was achieved with a salt loading slightly less … Read More
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Prediction of Molecular Structures and Electron Affinities of Metal-Solvent Complexes
Simulated molecular structures and the reductive stabilities of many monovalent and divalent metal ion complexes with organic solvents. Read More
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Intercalation of Mg into a Few-Layer Phyllomanganate in Non-aqueous Electrolytes at Room Temperature
Nanocrystals of a few-layer manganese oxide are shown to have considerable electrochemical activity toward Mg2+ intercalation even at room temperature, where they delivered ~190 mAh/g in full Mg metal batteries. Read More
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Mechanistic Insights in Quinone-Based Zinc Batteries with Nonaqueous Electrolytes
Three quinone-based organic electrodes were tested in nonaqueous Zn-batteries using different salts and solvents. Mechanistic studies on the electrode kinetics were then performed. Read More
