Research Highlights
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Quantifying the Promise of Lithium‒Air Batteries for Electric Vehicles
First comprehensive materials-to-system analysis of performance and manufacturing cost of Li-O2 batteries Read More
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Molecular Design Leads to Record Performance for Li2S Cathodes
Demonstrated record performance in Li2S cathodes using innovative molecular design based on ab initio density functional theory Read More
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Predicting Chemical Pathways for Li-O2 Batteries
Mechanistic predictions for the structure and molecular conversion pathways in the discharge reaction LiO2–> Li2O2 in Li-O2 batteries were made using high level quantum chemical theory. 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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Coordination Chemistry in Magnesium Battery Electrolytes: How Ligands Affect Their Performance
Identification of the solution coordination structures of Mg(BH4)2 through a simple NMR method. Read More
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In-Situ Liquid (ec)-TEM Cell Shows Dendrite Formation, Providing New Insights into Lithium Batteries
Demonstrated that formation of solid electrolyte interphase (SEI) as dendrites occurs before lithium electrodeposition on the gold electrode and remains after lithium electrodissolution, changing our view of dendrite formation and the safety of lithium-ion batteries. Read More
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Lithium Metal Anodes for Rechargeable Batteries
Various factors affecting the morphology and Coulombic efficiency of Li metal anodes have been analyzed Read More
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Degradation Mechanisms in Li-Ion Battery Electrolytes Uncovered by In-Situ Scanning Transmission Electron Microscopy
Directly observed a sequence of interconnected electrolyte degradation mechanisms to evaluate stability and degradation in battery electrolytes Read More
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Rational Design of High-Performance Li2S Cathodes
Achieved record performance in Li2S cathodes by using ab initio simulations to guide our rational selection of effective bifunctional binders. Read More
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In-Situ TEM and DFT Study of Large Cation Transport and Failure Mechanism In Single SnO2 Nanowire
Direct measurement reveals that Na ion diffusion is 30 times slower than Li ion. Na insertion softens nanowire and causes significant deformation to lead to easy deformation of the product. Pore formation upon Na ion removal leads to poor cycliability of the SnO2 electrode Read More
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Efficient Intermolecular Charge Transport in π-Stacked Pyridinium Dimers Using Cucurbit[8]uril Supramolecular Complexes
In this work, we observe highly efficient intermolecular charge transport between stacked pyridinium dimers inside a synthetic host (cucurbit[8]uril, CB[8]) using single molecule techniques. Read More
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George Crabtree wins 2022 Energy Systems Award
The prestigious award recognizes the importance of transforming energy systems from fossil fuels to carbon-free technologies. Physicist George Crabtree of the U.S. Department of Energy’s (DOE) Argonne National Laboratory has received the 2022 Energy Systems Award from the American Institute of Aeronautics and Astronautics ( … Read More
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Exploring the Synthesis of Alkali Metal Anti-perovskites
This work combines Density functional theory, quasi-harmonic approximation and experiments to explore the synthesizability of several marginally stable antiperovskites (APs) and overall, has obtained good agreement between experiments and computation. Read More
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Untapped Potential: The Need and Opportunity for High-Voltage Aqueous Redox Flow Batteries
Prior studies of the techno-economic design space for aqueous redox flow batteries (AqRFBs) have almost exclusively focused on cell potentials ≤1.5 V, due, at least in part, to the belief that battery operation at higher cell potentials in not feasible due to electrolyte decomposition. However, … Read More
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Intercalation of Ca into a Highly Defective Manganese Oxide at Room Temperature
Nanocrystals of layered MnOx containing a high concentration of atomic defects and lattice water are shown to have remarkable electrochemical activity towards Ca2+ , amounting to a capacity of ~130 mAh/g at room temperature. Multimodal characterization revealed the notable degree of intercalation by probing the … Read More
