About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
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Symposium
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Advanced Materials for Energy Conversion and Storage 2025
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Presentation Title |
Local and Global Structural Effects of Doping on Ionic Conductivity in Na3SbS4 Solid Electrolyte
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Author(s) |
Cheng-Wei Lee, Mayu Maegawa, Hirofumi Akamatsu, Katsuro Hayashi, Saneyuki Ohno, Prashun Gorai |
On-Site Speaker (Planned) |
Cheng-Wei Lee |
Abstract Scope |
Solid electrolytes (SEs) used in solid-state batteries suffer from low ionic conductivity and limited (electro)chemical stability that have impeded their commercialization. Na-ion battery technology offers tremendous potential for grid-scale energy storage. Among Na-ion SEs, Na3SbS4 has an ionic conductivity of 10-3 S/cm, which is increased to 10-2 S/cm with W doping. It has been suggested that aliovalent W doping increases the Na vacancy concentration, which increases ion conductivity. However, doping also affects the mobility of Na ions by modifying their migration barrier, but such effects are not fully understood for doped-Na3SbS4. We use first-principles defect calculations to quantitatively demonstrate the increase/decrease in Na vacancy concentration due to aliovalent doping of Na3SbS4. In conjunction with experiments, we reveal local and global structural effects of doping on the migration barrier. These effects and their interplay manifest even in the case of isovalent doping where doping does not change the mobile ion concentration. |
Proceedings Inclusion? |
Planned: |
Keywords |
Energy Conversion and Storage, Computational Materials Science & Engineering, Modeling and Simulation |