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1. Oxygen‐Induced Structural Disruption for Improved Li ⁺ Transport and Electrochemical Stability of Li ₃ PS ₄

   https://doi.org/10.1002/aenm.202302785  

   Deck, Michael_J; Chien, Po‐Hsiu; Poudel, Tej_P; Jin, Yongkang; Liu, Haoyu; Hu, Yan‐Yan (December 2023, Advanced Energy Materials)

   Abstract The performance of all‐solid‐state batteries (ASSBs) relies on the Li⁺transport and stability characteristics of solid electrolytes (SEs). Li₃PS₄is notable for its stability against lithium metal, yet its ionic conductivity remains a limiting factor. This study leverages local structural disorder via O substitution to achieve an ionic conductivity of 1.38 mS cm⁻¹with an activation energy of 0.34 eV for Li₃PS_4−xO_x(x = 0.31). Optimal O substitution transforms Li⁺transport from 2D to 3D pathways with increased ion mobility. Li₃PS_3.69O_0.31exhibits improvements in the critical current density and stability against Li metal and retains its electrochemical stability window compared with Li₃PS₄. The practical implementation of Li₃PS_3.69O_0.31in ASSBs half‐cells, particularly when coupled with TiS₂as the cathode active material, demonstrates substantially enhanced capacity and rate performance. This work elucidates the utility of introducing local structural disorder to ameliorate SE properties and highlights the benefits of strategically combining the inherent strengths of sulfides and oxides via creating oxysulfide SEs. 

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2. Influence of Rotational Distortions on Li ⁺ - and Na ⁺ -Intercalation in Anti-NASICON Fe ₂ (MoO ₄ ) ₃

   https://doi.org/10.1021/acs.chemmater.6b01806  

   Zhou, Shiliang; Barim, Gözde; Morgan, Benjamin J.; Melot, Brent C.; Brutchey, Richard L. (June 2016, Chemistry of Materials)
3. 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)
4. Optical properties of undoped, Eu ³⁺ doped and Li ⁺ co-doped Y ₂ Hf ₂ O ₇ nanoparticles and polymer nanocomposite films

   https://doi.org/10.1039/c9qi01181a  

   Gupta, Santosh K.; Zuniga, Jose P.; Abdou, Maya; Ghosh, P. S.; Mao, Yuanbing (January 2020, Inorganic Chemistry Frontiers)

   Desirable phosphors for lighting, scintillation and composite films must have good light absorption properties, high concentration quenching, high quantum efficiency, a narrow color emission, and so forth. In this work, we first show that undoped yttrium hafnate Y 2 Hf 2 O 7 (YHO) nanoparticles (NPs) display dual blue and red bands after excitation using 330 nm light. Based on density functional theory (DFT) calculations, these two emission bands are correlated with the defect states arising in the band-gap region of YHO owing to the presence of neutral and charged oxygen defects. Once doped with Eu 3+ ions (YHOE), the YHO NPs show a bright red emission, a long excited state lifetime and stable color coordinates upon near-UV and X-ray excitation. Concentration quenching is active when Eu 3+ doping reaches 10 mol% with a critical distance of ∼4.43 Å. This phenomenon indicates a high Eu 3+ solubility within the YHO host and the absence of Eu 3+ clusters. More importantly, the optical performance of the YHOE NPs has been further improved by lithium co-doping. The origin of the emission, structural stability, and role of Li + -co-doping are explored both experimentally and theoretically. DFT calculation results demonstrate that Li + -co-doping increases the covalent character of the Eu 3+ –O 2− bonding in the EuO 8 polyhedra. Furthermore, the YHOE NPs have been dispersed into polyvinyl alcohol (PVA) to make transparent nanocomposite films, which show strong red emission under excitation at 270 and 393 nm. Overall, we demonstrate that the YHO NPs with Eu 3+ and (Eu 3+ /Li + ) doping have a high emission intensity and quantum efficiency under UV and X-ray excitation, which makes them suitable for use as phosphors, scintillators and transparent films for lighting, imaging and detection applications. 

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5. 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)