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1. Mo ₃ S ₁₃ Chalcogel: A High‐Capacity Electrode for Conversion‐Based Li‐Ion Batteries

   https://doi.org/10.1002/cssc.202400084  

   Islam, Taohedul; Chandra Roy, Subrata; Bayat, Sahar; Adigo Weret, Misganaw; Hoffman, Justin M.; Rao, Keerthan R.; Sawicki, Conrad; Nie, Jing; Alam, Robiul; Oketola, Oluwaseun; et al (April 2024, ChemSusChem)

   Abstract Despite large theoretical energy densities, metal‐sulfide electrodes for energy storage systems face several limitations that impact the practical realization. Here, we present the solution‐processable, room temperature (RT) synthesis, local structures, and application of a sulfur‐rich Mo₃S₁₃chalcogel as a conversion‐based electrode for lithium‐sulfide batteries (LiSBs). The structure of the amorphous Mo₃S₁₃chalcogel is derived throughoperandoRaman spectroscopy, synchrotron X‐ray pair distribution function (PDF), X‐ray absorption near edge structure (XANES), and extended X‐ray absorption fine structure (EXAFS) analysis, along with ab initio molecular dynamics (AIMD) simulations. A key feature of the three‐dimensional (3D) network is the connection of Mo₃S₁₃units through S−S bonds. Li/Mo₃S₁₃half‐cells deliver initial capacity of 1013 mAh g⁻¹during the first discharge. After the activation cycles, the capacity stabilizes and maintains 312 mAh g⁻¹at a C/3 rate after 140 cycles, demonstrating sustained performance over subsequent cycling. Such high‐capacity and stability are attributed to the high density of (poly)sulfide bonds and the stable Mo−S coordination in Mo₃S₁₃chalcogel. These findings showcase the potential of Mo₃S₁₃chalcogels as metal‐sulfide electrode materials for LiSBs. 

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2. Amorphous K–Co–Mo–S _x Chalcogel: A Synergy of Surface Sorption and Ion‐Exchange

   https://doi.org/10.1002/smll.202400679  

   Nie, Jing; Islam, Taohedul; Roy, Subrata Chandra; Li, Dien; Amin, Ruhul; Taylor‐Pashow, Kathryn; Zhu, Xianchun; Feng, Renfei; Chernikov, Roman; Pramanik, Avijit; et al (March 2024, Small)

   Abstract Chalcogel represents a unique class of meso‐ to macroporous nanomaterials that offer applications in energy and environmental pursuits. Here, the synthesis of an ion‐exchangeable amorphous chalcogel using a nominal composition of K₂CoMo₂S₁₀(KCMS) at room temperature is reported. Synchrotron X‐ray pair distribution function (PDF), X‐ray absorption near‐edge structure (XANES), and extended X‐ray absorption fine structure (EXAFS) reveal a plausible local structure of KCMS gel consisting of Mo⁵⁺₂and Mo⁴⁺₃clusters in the vicinity of di/polysulfides which are covalently linked by Co²⁺ions. The ionically bound K⁺ions remain in the percolating pores of the Co–Mo–S covalent network. XANES of Co K‐edge shows multiple electronic transitions, including quadrupole (1s→3d), shakedown (1s→4p + MLCT), and dipole allowed 1s→4p transitions. Remarkably, despite a lack of regular channels as in some crystalline solids, the amorphous KCMS gel shows ion‐exchange properties with UO₂²⁺ions. Additionally, it also presents surface sorption via [S∙∙∙∙UO₂²⁺] covalent interactions. Overall, this study underscores the synthesis of quaternary chalcogels incorporating alkali metals and their potential to advance separation science for cations and oxo‐cationic species by integrating a synergy of surface sorption and ion‐exchange. 

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3. Magnetic order in nanogranular iron germanium (Fe _0.53 Ge _0.47 ) films

   https://doi.org/10.1088/1361-648X/ad8c0a  

   Zielinski, Ruthi; Nguyen, Nhat; Herrington, Bryce; Tarkian, Amir; Taha, Omar; Chin, Wai_Kiat; Mahmood, Ather; Chen, Xiaoqian; Klewe, Christoph; Shafer, Padraic; et al (November 2024, Journal of Physics: Condensed Matter)

   Abstract We study the effect of strain on the magnetic properties and magnetization configurations in nanogranular Fe_xGe ${}_{1-x}$films ( $x=0.53\pm 0.05$) with and without B20 FeGe nanocrystals surrounded by an amorphous structure. Relaxed films on amorphous silicon nitride membranes reveal a disordered skyrmion phase while films near and on top of a rigid substrate favor ferromagnetism and an anisotropic hybridization of Fedlevels and spin-polarized Gespband states. The weakly coupled topological states emerge at room temperature and become more abundant at cryogenic temperatures without showing indications of pinning at defects or confinement to individual grains. These results demonstrate the possibility to control magnetic exchange and topological magnetism by strain and inform magnetoelasticity-mediated voltage control of topological phases in amorphous quantum materials. 

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4. Experimental and Theoretical Study on the Substitution Patterns in Lithium Germanides: The Case of Li ₁₅ Ge ₄ vs Li ₁₄ ZnGe ₄

   https://doi.org/10.1002/ejic.202100901  

   Osman, Hussien_H; Bobev, Svilen (December 2021, European Journal of Inorganic Chemistry)

   Abstract A new ternary lithium zinc germanide, Li_13.83Zn_1.17(2)Ge₄, was synthesized by a high‐temperature solid state reaction of the respective elements. The crystal structure was determined by single‐crystal X‐ray diffraction methods. The new phase crystallizes in the body‐centered cubic space groupI3d(no. 220) with unit cell parameter of 10.695(1) Å. The crystal structure refinements show that the parent Li₁₅Ge₄structure is stabilized as Li_15−xZn_xGe₄(x≈1) via random substitution of Li atoms by the one‐electron‐richer atoms of the element Zn, by virtue of which the number of valence electrons increases, leading to a more electronically stable system. The substitution effects in the parent Li₁₅Ge₄structure were investigated through both theory and experiment, which confirm that the Zn atoms in this structure prefer to occupy only one of the two available crystallographic sites for Li. The preferred substitution pattern established from experimental results is supported by DFT electronic structure calculations, which also explore the subtleties of the chemical bonding and the electronic properties of the title compounds. 

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5. Spin structure and dynamics of the topological semimetal Co3Sn2-xInxS2

   https://doi.org/10.1038/s41535-022-00523-w  

   Neubauer, Kelly J.; Ye, Feng; Shi, Yue; Malinowski, Paul; Gao, Bin; Taddei, Keith M.; Bourges, Philippe; Ivanov, Alexandre; Chu, Jiun-Haw; Dai, Pengcheng (December 2022, npj Quantum Materials)

   Abstract The anomalous Hall effect (AHE), typically observed in ferromagnetic (FM) metals with broken time-reversal symmetry, depends on electronic and magnetic properties. In Co₃Sn_2-xIn_xS₂, a giant AHE has been attributed to Berry curvature associated with the FM Weyl semimetal phase, yet recent studies report complicated magnetism. We use neutron scattering to determine the spin dynamics and structures as a function ofxand provide a microscopic understanding of the AHE and magnetism interplay. Spin gap and stiffness indicate a contribution from Weyl fermions consistent with the AHE. The magnetic structure evolves fromc-axis ferromagnetism at$$x = 0$$ $x=0$to a canted antiferromagnetic (AFM) structure with reducedc-axis moment and in-plane AFM order at$$x = 0.12$$ $x=0.12$and further reducedc-axis FM moment at$$x = 0.3$$ $x=0.3$. Since noncollinear spins can induce non-zero Berry curvature in real space acting as a fictitious magnetic field, our results revealed another AHE contribution, establishing the impact of magnetism on transport. 

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