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1. Studies of Functional Defects for Fast Na‐Ion Conduction in Na _{3− y} PS _{4− x} Cl _x with a Combined Experimental and Computational Approach

   https://doi.org/10.1002/adfm.201807951  

   Feng, Xuyong; Chien, Po‐Hsiu; Zhu, Zhuoying; Chu, Iek‐Heng; Wang, Pengbo; Immediato‐Scuotto, Marcello; Arabzadeh, Hesam; Ong, Shyue_Ping; Hu, Yan‐Yan (January 2019, Advanced Functional Materials)

   Abstract All‐solid‐state rechargeable sodium (Na)‐ion batteries are promising for inexpensive and high‐energy‐density large‐scale energy storage. In this contribution, new Na solid electrolytes, Na_3−yPS_4−xCl_x, are synthesized with a strategic approach, which allows maximum substitution of Cl for S (x= 0.2) without significant compromise of structural integrity or Na deficiency. A maximum conductivity of 1.96 mS cm⁻¹at 25 °C is achieved for Na_3.0PS_3.8Cl_0.2, which is two orders of magnitude higher compared with that of tetragonal Na₃PS₄(t‐Na₃PS₄). The activation energy (E_a) is determined to be 0.19 eV. Ab initio molecular dynamics simulations shed light on the merit of maximizing Cl‐doping while maintaining low Na deficiency in enhanced Na‐ion conduction. Solid‐state nuclear magnetic resonance (NMR) characterizations confirm the successful substitution of Cl for S and the resulting change of P oxidation state from 5+ to 4+, which is also verified by spin moment analysis. Ion transport pathways are determined with a tracer‐exchange NMR method. The functional detects that promote Na ‐ion transport are maximized for further improvement in ionic conductivity. Full‐cell performance is demonstrated using Na/Na_3.0PS_3.8Cl_0.2/Na₃V₂(PO₄)₃with a reversible capacity of ≈100 mAh g^‐1at room temperature. 

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2. Fast Na diffusion and anharmonic phonon dynamics in superionic Na ₃ PS ₄

   https://doi.org/10.1039/D1EE01509E  

   Gupta, Mayanak K.; Ding, Jingxuan; Osti, Naresh C.; Abernathy, Douglas L.; Arnold, William; Wang, Hui; Hood, Zachary; Delaire, Olivier (December 2021, Energy & Environmental Science)

   Strongly anharmonic low-energy phonons enable the fast diffusion of Na ions in the solid-state electrolyte compound Na₃PS₄. 

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3. Enhanced Ion Conduction in Li _2.5 Zn _0.25 PS ₄ via Anion Doping

   https://doi.org/10.1021/acs.chemmater.0c00025  

   Feng, Xuyong; Chien, Po-Hsiu; Patel, Sawankumar; Wang, Yan; Hu, Yan-Yan (March 2020, Chemistry of Materials)
4. VOA[ M ₄ ]

   https://doi.org/10.1063/1.5100059  

   Feigin, Boris; Gukov, Sergei (January 2020, Journal of Mathematical Physics)
5. Fast Ion Conduction and Its Origin in Li _6–x PS _5–x Br _1+x

   https://doi.org/10.1021/acs.chemmater.9b05331  

   Wang, Pengbo; Liu, Haoyu; Patel, Sawankumar; Feng, Xuyong; Chien, Po-Hsiu; Wang, Yan; Hu, Yan-Yan (May 2020, Chemistry of Materials)

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