Research Highlights
-
Stability and Microheterogeneity in Concentrated Nonaqueous Electrolyte Solutions
We compared the molecular dynamics of two different but structurally-related electrolytes in highly concentrated solutions. One catholyte is compact and symmetrical; the other is bulkier and less symmetrical. Incoherent elastic and quasi-elastic neutron scattering measurements showed significant differences in crystallization, supercooling, and sudden microheterogeneity. Read More
-
Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte
Mg[Al{OC(CF3)3}4]2 (Mg[TPFA]2 ) with perfluorinated, e- deficient anions ([TPFA]−) possesses high thermodynamic oxidative stability with high coulombic efficiency for Mg plating/stripping. Read More
-
First-principles Exploration of Stability and Associated Decomposition Mechanisms of Solvents in Mg Energy Storage
Obtained a deeper understanding of the chemical and electrochemical stability governing the suitability of several organic solvents commonly considered for Mg battery electrolytes. Read More
-
Direct Observation of MgO Formation at the Cathode-Electrolyte Interface of a Spinel MgCo2O4 Cathode upon Electrochemical Mg+2 Removal and Insertion
We have been exploring the versatility and mechanism of Mg insertion into several transition metal spinel compounds and correlating the results with electron count. In this publication we established that the MgCo2O4 works by a conversion mechanism – MgO extraction and precipitation as the primary electrochemical activity with loss of oxide and reduction of cobalt. System characterization was complicated by the observed solid solution between MgCo2O4 – Co3O4 but overcome by utilizing a variety of techniques to fully characterize the materials synthesized. Read More
-
Understanding the Reaction Mechanism of Lithium-Sulfur Batteries by In situ/Operando XAS
We presented the recent progress in the application of in situ/operando XAS in the understanding of the redox mechanism of lithium sulfur batteries, which is of great significance for the development of high-performance lithium sulfur batteries. Read More
-
PyLAT: Python LAMMPS Analysis Tools
A series of tools was developed to perform post-analysis on molecular dynamics trajectories from the LAMMPS software. Read More
-
Redox Polymers in Electrochemical Systems: From Methods of Mediation to Energy Storage
Redox polymers were designed for mediation in sensors in the 1980s, but it was not until the last five years that researchers realized that they could play a critical role in energy storage, including redox flow batteries and supercapacitors. Read More
-
Fluoride Doping Enhances Lithium Diffusivity in Layered Molybdenum Oxide
By fluoride doping MoO3 to MoO2.8F0.2 the reversibility of lithium intercalation could be greatly increased and a sluggish intercalation step could be bypassed. Read More
-
Thermodynamic Overpotentials and Nucleation Rates for Electrodeposition on Metal Anodes
Thermodynamic contributions to overpotentials are predicted for seven metals relevant for next-generation metal anode batteries: Al, Ca, K, Li, Mg, Na, and Zn. In addition, a multi-scale model that combines these predictions with nucleation theory is used to estimate nucleation rates for electrodeposits on these electrodes. Read More
-
Correlating Lattice Distortions, Ion Migration Barriers, and Stability in Solid Electrolytes
The discovery of solid electrolytes remains an important scientific goal. This search has been slowed, however, by incomplete understanding of the chemical and structural features that give rise to high ionic mobility. Read More
Latest Updates
See All-
Stability and Microheterogeneity in Concentrated Nonaqueous Electrolyte Solutions
We compared the molecular dynamics of two different but structurally-related electrolytes in highly concentrated solutions. One catholyte is compact and symmetrical; the other is bulkier and less symmetrical. Incoherent elastic and quasi-elastic neutron scattering measurements showed significant differences in crystallization, supercooling, and sudden microheterogeneity. Read More
-
Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte
Mg[Al{OC(CF3)3}4]2 (Mg[TPFA]2 ) with perfluorinated, e- deficient anions ([TPFA]−) possesses high thermodynamic oxidative stability with high coulombic efficiency for Mg plating/stripping. Read More
-
First-principles Exploration of Stability and Associated Decomposition Mechanisms of Solvents in Mg Energy Storage
Obtained a deeper understanding of the chemical and electrochemical stability governing the suitability of several organic solvents commonly considered for Mg battery electrolytes. Read More
-
Direct Observation of MgO Formation at the Cathode-Electrolyte Interface of a Spinel MgCo2O4 Cathode upon Electrochemical Mg+2 Removal and Insertion
We have been exploring the versatility and mechanism of Mg insertion into several transition metal spinel compounds and correlating the results with electron count. In this publication we established that the MgCo2O4 works by a conversion mechanism – MgO extraction and precipitation as the primary … Read More
-
Understanding the Reaction Mechanism of Lithium-Sulfur Batteries by In situ/Operando XAS
We presented the recent progress in the application of in situ/operando XAS in the understanding of the redox mechanism of lithium sulfur batteries, which is of great significance for the development of high-performance lithium sulfur batteries. Read More
