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1. Quaternary Pavonites A 1+x Sn 2–x Bi 5+x S 10 (A + = Li + , Na + ): Site Occupancy Disorder Defines Electronic Structure

   https://doi.org/10.1021/acs.inorgchem.7b03091  

   Khoury, Jason F. ; Hao, Shiqiang ; Stoumpos, Constantinos C. ; Yao, Zhenpeng ; Malliakas, Christos D. ; Aydemir, Umut ; Slade, Tyler J. ; Snyder, G. Jeffrey ; Wolverton, Chris ; Kanatzidis, Mercouri G. ( February 2018 , Inorganic Chemistry)
2. Unlocking High Capacity and Fast Na + Diffusion of H x CrS 2 by Proton‐Exchange Pretreatment

   https://doi.org/10.1002/adma.202209811  

   Stiles, Joseph W. ; Soltys, Anna L. ; Song, Xiaoyu ; Lapidus, Saul H. ; Arnold, Craig B. ; Schoop, Leslie M. ( January 2023 , Advanced Materials)

   This study presents a new material, “H_xCrS₂” (denotes approximate composition) formed by proton‐exchange of NaCrS₂which has a measured capacity of 728 mAh g⁻¹with significant improvements to capacity retention, sustaining over 700 mAh g⁻¹during cycling experiments. This is the highest reported capacity for a transition metal sulfide electrode and outperforms the most promising proposed sodium anodes to date. H_xCrS₂exhibits a biphasic structure featuring alternating crystalline and amorphous lamella on the scale of a few nanometers. This unique structural motif enables reversible access to Cr redox in the material resulting in higher capacities than seen in the parent structure which features only S redox. Pretreatment by proton‐exchange offers a route to materials such as H_xCrS₂which provide fast diffusion and high capacities for sodium‐ion batteries.

    

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3. 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)

   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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4. Signatures of Non-universal Quantum Dynamics of Ultracold Chemical Reactions of Polar Alkali Dimer Molecules with Alkali Metal Atoms: Li( 2 S) + NaLi( a 3 Σ + ) → Na( 2 S) + Li 2 ( a 3 Σ u + )

   https://doi.org/10.1021/acs.jpclett.3c00159  

   Morita, Masato ; Kendrick, Brian K. ; Kłos, Jacek ; Kotochigova, Svetlana ; Brumer, Paul ; Tscherbul, Timur V. ( April 2023 , The Journal of Physical Chemistry Letters)
5. Existence and Properties of Isolated Catalytic Sites on the Surface of β-Cristobalite-Supported, Doped Tungsten Oxide Catalysts (WO x /β-SiO 2 , Na-WO x /β-SiO 2 , Mn-WO x /β-SiO 2 ) for Oxidative Coupling of Methane (OCM): A Combined Periodic DFT and Experimental Study

   https://doi.org/10.1021/acscatal.9b05591  

   Kiani, Daniyal ; Sourav, Sagar ; Taifan, William ; Calatayud, Monica ; Tielens, Frederik ; Wachs, Israel E. ; Baltrusaitis, Jonas ( April 2020 , ACS Catalysis)