Halide perovskites are promising candidate materials for the next generation high-efficiency optoelectronic devices. Since perovskites are electronic-ionic mixed conductors, ion dynamics have a critical impact on the performance and stability of perovskite-based applications. However, comprehensively understanding ionic dynamics is challenging, particularly on nanoscale imaging of ionic dynamics in perovskites. In this review, mobile ion dynamics in halide perovskites investigated via luminescence spectroscopy combined with confocal microscopy are discussed, including mobile ion induced fluorescence quenching, phase segregation in mixed halide hybrid perovskite, and mobile ion accumulation at the interface in perovskite devices. Steady-state and time-resolved luminescence imaging techniques, combined with confocal microscopy, are unique tools for probing ionic dynamics in perovskites, providing invaluable insights on ionic dynamics in nanoscale resolution, along with a wide temporal range from picoseconds to hours. The works in this review are not only for understanding mobile ions to improve the design of perovskite-based devices but also foster the development of microspectroscopic methodologies in a broader solid-state physics context of investigating ionic transports in polycrystalline materials.
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http://dx.doi.org/10.1002/smtd.202000731 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry, Birla Institute of Technology and Science, Pilani, Pilani Campus, Rajasthan 333031, India.
The behavior of water in concentrated ionic solutions, including supersaturated conditions, is crucial for numerous material and energy conversion processes and fundamental research. All electrolytes whether they "structure-make" or "structure-break" the water structure lead to slower water motion. This study investigates the structure and dynamics of aqueous NaCl solutions across a wide range of concentrations.
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January 2025
Department of Chemical Technology, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.
The development of stable, high-performance electrolytes is essential to addressing the safety concerns and limited lifespan caused by the thermal and chemical instability of traditional organic carbonate-based electrolytes in lithium-ion batteries (LIBs). This study examined the potential of mixed solvent systems, specifically ethyl methyl carbonate (EMC) and tetramethylene sulfone (TMS), to modify ion solvation and improve ionic conductivity in LIB electrolytes. Through molecular dynamics simulations, we investigated the solvation structure and transport properties of lithium ions (Li) in these solvent environments.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Chemistry and Bioscience, Aalborg University, Aalborg East, Denmark.
Enhancing the ion conduction in solid electrolytes is critically important for the development of high-performance all-solid-state lithium-ion batteries (LIBs). Lithium thiophosphates are among the most promising solid electrolytes, as they exhibit superionic conductivity at room temperature. However, the lack of comprehensive understanding of their ion conduction mechanism, especially the effect of structural disorder on ionic conductivity, is a long-standing problem that limits further innovations in all-solid-state LIBs.
View Article and Find Full Text PDFAcc Chem Res
January 2025
Helmholtz Institute Ulm (HIU) Electrochemical Energy Storage, Helmholtzstrasse 11, 89081 Ulm, Germany.
ConspectusLithium-ion batteries (LIBs) based on graphite anodes are a widely used state-of-the-art battery technology, but their energy density is approaching theoretical limits, prompting interest in lithium-metal batteries (LMBs) that can achieve higher energy density. In addition, the limited availability of lithium reserves raises supply concerns; therefore, research on postlithium metal batteries is underway. A major issue with these metal anodes, including lithium, is dendritic formation and insufficient reversibility, which leads to safety risks due to short circuits and the use of flammable electrolytes.
View Article and Find Full Text PDFMolecules
January 2025
Department of Chemistry and Biochemistry, State University of New York Brockport, Brockport, NY 14420, USA.
Non-ionic surfactants are an important solvent in the field of green chemistry with tremendous application potential. Understanding their phase properties in bulk or in confined environments is of high commercial value. In recent years, the combination of molecular dynamics (MD) simulations with multinuclear solid-state NMR spectroscopy and calorimetric techniques has evolved into the most powerful tool for their investigation.
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