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RESEARCH PAPER · Chemistry of Materials · 2023

Functional Alkali Metal-Based Ternary Chalcogenides: Design, Properties, and Opportunities

Hannah McKeever, Niraj Nitish Patil, Manoj Palabathuni, Shalini Singh

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Functional Alkali Metal-Based Ternary Chalcogenides: Design, Properties, and OpportunitiesOriginalAchievement of high ionic conductivity and electrochemical stability by W/Sn-doped Na 3 SbS 4 conductors designed for all-solid-state sodium-ion batteries4Tailoring of Dielectric Behavior and A.C. Conduction in Binary Se80te20 Glass Using Low Concentrations of Transition Metals (Fe, Co, Ni, Cu)0Investigation into the physical characteristics of the compounds XBiSe2 (X = Li, Na or K)3DFT analysis of the electronic, optical, phonon, elastic, and mechanical features of ternary Rb2XS3 (X = Si, Ge, Sn) chalcogenides9Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides2Surface evolution of thermoelectric material KCu4Se3 explored by scanning tunneling microscopy0A Set of New Promising Solid Chalcogenides for Na‐Ion Batteries: Yield from the Crystal Chemical, Monte‐Carlo and Quantum‐Chemical Calculations5High Entropy Oxides: Mapping the Landscape from Fundamentals to Future Vistas152Enhancement of Thermoelectric Performance through Transport Properties Decorrelation in the Quaternary Pseudo-Hollandite Chalcogenide Rb0.2Ba0.4Cr5Se84A review of chalcogenide-based perovskites as the next novel materials: Solar cell and optoelectronic applications, catalysis and future perspectives111Computational insights into structural, electronic, optical and thermoelectric features of ternary chalcogenide Ca2GeX4 (X=S, Se, Te) compounds17Two-dimensional PdPS: A multifunctional electrocatalyst towards HER, ORR, and supercapacitor applications1Colloidal AInSe2 (A = K, Rb, Cs) Nanocrystals with Tunable Crystal and Band Structures10Tailoring of dielectric behavior and a.c. conduction in binary Se80Te20 glass by incorporation of transition metals (Fe, Co, Ni, Cu)5Two-Dimensional ABS4 (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries4Facile one-pot synthesis of high-purity sodium antimony chalcogenides in polar solvents3Alkali triel chalcogenide nanocrystals: a molecular reactivity approach to ternary phase selectivity2Plasmonic Tunability with Ionic Modulation in CuS Nanostructures for NIR Optoelectronics0Dual‐Source Evaporation Processed Novel NaBiS 2 Absorber Material for Eco‐Friendly and Stable Photovoltaics10Mariakrite, [Ca4Al2(OH)12(H2O)4][Fe2S4]: A new mineral and the first layered double hydroxide intercalated with dithioferrate (iron disulfide) chains2Two‐dimensional micrometer‐sized CuFeSeS nanosheets: template‐mediated chemical synthesis and magnetic regulation2Ligand-Assisted Colloidal Synthesis of Alkali Metal-Based Ternary Chalcogenide: Nanostructuring and Phase Control in Na–Cu–S System11In Situ Heterostructure Formation of NaSbS2 and Na2Sb4S7 for Efficient Photogenerated Charge Separation4Mechanistic Insights and Strategic Assembly of Tailored Novel Oxide‐Phosphide Heterostructure Nanocrystals4Growth of ternary teallite ( PbSnS2 ) for hydrogen sensing and its dielectric relaxation, ac conductivity and modulus spectroscopic studies2KCu 3 S 2 : A Layered Inorganic Chalcogenide Semiconductor as a Promising Light Absorber2Alkaline Earth-Based Ternary Chalcogenide Nanocrystals: Cadmium- and Lead-Free Optical Materials5Thermodynamic stability of ABX2-type ternary chalcogenides from machine learning0Nanoarchitectonics of TlBiS 2 poly crystals grown by melt temperature oscillation method0Generalized Synthetic Pathway to A InS 2 and A GaS 2 ( A = Alkali Metal) Nanoparticles3First-principles study of CsHS and LiHS ternary materials for hydrogen storage and optoelectronic applications2Recent advances in integrated solar batteries: Materials, interfaces, and system architectures8Exploring multifunctional properties of ternary chalcogenides for advanced energy applications5Layered Alkali-Copper Selenides: Deciphering Thermoelectric Properties and Reaction Pathways for Nanostructuring β-CsCu 5 Se 31Bonding-Driven Valley Reordering in Ternary Chalcogenides A(InS₂)₂ (A=Be, Mg, Ca) Revealed by Machine Learning and First-Principles Calculations0From adiabatic to diabatic representation: an ab initio investigation of the LiS molecule1Wide Bandgap Oxychalcogenide With Low Effective Mass, Strong Excitonic Effects, and High Figure of Merit: BaTa 4 Te 3 O 171Ab Initio Study of Dynamically Stable Sc2SrX4 (X = S, Se): Promising Ternary Chalcogenides for Green Energy Harvesting2Data-driven discovery of high-performance quaternary chalcogenide photovoltaics1Investigation of structural, optoelectronic, and thermoelectric properties of K2PdSe2, K2PdTe2, K2PtSe2, and K2PtTe2 chalcogenides0Emerging progress in harnessing chalcogenide materials for efficient elimination of contaminants from wastewater1Structural stability, electronic structure and optical properties of alkali-metal-based yttrium selenides AYSe2: A first-principles study0Molecular Programming of Diorganyl Dichalcogenides for Rational Nanocrystal Design0Effect of O → S anionic substitution on the structural and electronic properties of LiAg 3 X 2 (X = O and S)0First-principles study of defect-induced luminescence mechanism in ternary nitride Li3AlN20Solution-Synthesis and Optical and Magnetic Properties of MnX 2 Se 4 (X= Bi, Sb, In) Nanomaterials0A comprehensive review of thermoelectric power generators: Advances in material discovery, structural optimization for performance enhancement, and service life stability0Influence of antimony on the linear and non- linear optical behavior of Ge-Sb-Se chalcogenide alloys0Structural evolution and continuous band-gap narrowing in layered-like framework LaCuS 2 under pressure0In-depth understanding of the promising photovoltaic performance for the intriguing Na2Cu4Z3 (Z = S and Se) chalcogenide0

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  2. Tailoring of Dielectric Behavior and A.C. Conduction in Binary Se80te20 Glass Using Low Concentrations of Transition Metals (Fe, Co, Ni, Cu)

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  3. Investigation into the physical characteristics of the compounds XBiSe2 (X = Li, Na or K)

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  4. DFT analysis of the electronic, optical, phonon, elastic, and mechanical features of ternary Rb2XS3 (X = Si, Ge, Sn) chalcogenides

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  6. Surface evolution of thermoelectric material KCu4Se3 explored by scanning tunneling microscopy

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  7. A Set of New Promising Solid Chalcogenides for Na‐Ion Batteries: Yield from the Crystal Chemical, Monte‐Carlo and Quantum‐Chemical Calculations

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  9. Enhancement of Thermoelectric Performance through Transport Properties Decorrelation in the Quaternary Pseudo-Hollandite Chalcogenide Rb0.2Ba0.4Cr5Se8

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  14. Tailoring of dielectric behavior and a.c. conduction in binary Se80Te20 glass by incorporation of transition metals (Fe, Co, Ni, Cu)

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  15. Two-Dimensional ABS4 (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries

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  17. Alkali triel chalcogenide nanocrystals: a molecular reactivity approach to ternary phase selectivity

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  20. Mariakrite, [Ca4Al2(OH)12(H2O)4][Fe2S4]: A new mineral and the first layered double hydroxide intercalated with dithioferrate (iron disulfide) chains

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