A5088160061- Advanced Battery Materials and Technologies
- Inorganic Chemistry and Materials
- Conducting polymers and applications
- Perovskite Materials and Applications
- Analytical Chemistry and Sensors
- Solid-state spectroscopy and crystallography
- Advancements in Battery Materials
- Inorganic Fluorides and Related Compounds
- Zeolite Catalysis and Synthesis
- Advanced Battery Technologies Research
University of California, Berkeley
2024-2025
Lawrence Berkeley National Laboratory
2024-2025
Princeton University
2024
Halides are promising solid-state electrolytes for all-solid-state lithium batteries due to their exceptional oxidation stability, high Li-ion conductivity, and mechanical deformability. However, practicality is limited by the reliance on rare expensive metals. This study investigates Li2MgCl4 inverse spinel system as a cost-effective alternative. Molecular dynamics simulations reveal that disordering at elevated temperatures significantly reduces activation energy in Li2MgCl4. To stabilize...
Advancement of solid state electrolytes (SSEs) for all batteries typically focuses on modification a parent structural framework improved conductivity, \textit{e.g.} cation substitution an immobile ion or varying the concentration mobile ion. Therefore, novel frameworks can be disruptive by enabling fast conduction aided different structure and diffusion mechanisms, unlocking optimal conductors with properties (\textit{e.g.} mechanical properties, sintering needs, electrochemical stability)...
Abstract 2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed a stabilization mechanism, yet an effective characterization relevant modes halide diffusion in nascent. In light this knowledge gap, molecular dynamics simulations with enhanced sampling experimental validation systematically characterize how ligand chemistry...
LiMXCl4 is a recently discovered lithium superionic conductor reported with Li conductivity up to 12.4 mS/cm at room temperature. In this work, we explore various types of M-cation and X-anion substitutions in the system. We find that fluoro-chlorides may provide promising thermodynamic electrochemical stability without compromising ionic conductivity. Ab-initio molecular dynamics simulations on seven three concentrations for each substitution suggest even higher be achieved than has been...
Two-dimensional (2D) hybrid organic-inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport has been proposed a stabilization mechanism, yet effective characterization relevant modes halide diffusion in 2D is nascent. In light this knowledge gap, we combine molecular dynamics simulations with enhanced sampling experimental validation systematically...
Two-dimensional (2D) hybrid organic-inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport has been proposed a stabilization mechanism, yet effective characterization relevant modes halide diffusion in 2D is nascent. In light this knowledge gap, we combine molecular dynamics simulations with enhanced sampling experimental validation systematically...
All solid-state batteries are a promising technology due to their employment of inorganic solid electrolytes (SEs), which safer compared flammable, liquid counterparts. Recently, halide SEs have gained significant attention relatively high ionic conductivity (> 1 mS/cm), wide electrochemical stability window, and compatibility with various electrode materials. However, prior 2023, no known materials could reach the conductivities state-of-the-art sulfide 10 mS/cm). This can be attributed...
Two-dimensional (2D) hybrid organic-inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport has been proposed a stabilization mechanism, yet effective characterization relevant modes halide diffusion in 2D is nascent. In light this knowledge gap, we combine molecular dynamics simulations with enhanced sampling experimental validation systematically...