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RESEARCH PAPER · Journal of the American Chemical Society · 2012

Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium Polysulfides

Daniel P. Shoemaker, Duck Young Chung, John F. Mitchell, Travis H. Bray, L. Soderholm, Peter J. Chupas, Mercouri G. Kanatzidis

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Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium PolysulfidesOriginalPolysulfide Chemistry in Sodium–Sulfur Batteries and Related Systems— A Computational Study by G3X(MP2) and PCM Calculations64Spatial and Temporal Confinement of Salt Fluxes for the Shape-Controlled Synthesis of Fe2O3 Nanocrystals41NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor20Salt melt synthesis of ceramics, semiconductors and carbon nanostructures688Understanding the Role of Aqueous Solution Speciation and Its Application to the Directed Syntheses of Complex Oxidic Zr Chlorides and Sulfates63Crystalline and Glassy Phases in the Cs/Bi/As/S System8Raman spectroscopy and density functional theory analyses of the melt structure in a Li 2 B 4 O 7 crystal growth system20Ba 2 HgS 5 —A Molecular Trisulfide Salt with Dumbbell-like (HgS 2 ) 2– Ions42In situ studies of a platform for metastable inorganic crystal growth and materials discovery145Synthesis, Structural Characterization, and Physical Properties of Cs2Ga2S5, and Redetermination of the Crystal Structure of Cs2S615Structural analyses of a K 2 O-rich KNbO 3 melt and the mechanism of KNbO 3 crystal growth16Time-resolved in situ powder X-ray diffraction reveals the mechanisms of molten salt synthesis28Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesis38Computational and experimental investigation for new transition metal selenides and sulfides: The importance of experimental verification for stability38Circumventing Diffusion in Kinetically Controlled Solid-State Metathesis Reactions55In situ identification of kinetic factors that expedite inorganic crystal formation and discovery38Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis112Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases208Reactive Fluxes0Understanding the polychalcogenides as building blocks to solid state materials: Speciation of polychalcogenides in solutions10Combinatorial appraisal of transition states for in situ pair distribution function analysis19In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La 4 Mo 2 O 11 and Ce 4 Mo 2 O 11 : Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth19In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth610Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective123Chemical Synthesis of K2S2 and K2S3 for Probing Electrochemical Mechanisms in K–S Batteries88High Hole Mobility and Nonsaturating Giant Magnetoresistance in the New 2D Metal NaCu4Se4 Synthesized by a Unique Pathway23A high-energy potassium–sulfur battery enabled by facile and effective imidazole-solvated copper catalysts50Ba 4 (BS 3 S) 2 S 4 : a new thioborate with unprecedented [BS 3 -S] and [S 4 ] fundamental building blocks19Impression materials for dental prosthesis10The role of polysulfide dianions and radical anions in the chemical, physical and biological sciences, including sulfur-based batteries304A Hydride Route to Ternary Alkali Metal Borides: A Case Study of Lithium Nickel Borides30Strong Non‐Epitaxial Interactions: Crystallographically Aligned PbSe on VSe213Antiferromagnetic Semiconductor BaFMn0.5Te with Unique Mn Ordering and Red Photoluminescence13Yttrium Manganese Oxide Phase Stability and Selectivity Using Lithium Carbonate Assisted Metathesis Reactions17Magnesium Todorokite: Influence of Morphology on Electrochemistry in Lithium, Sodium and Magnesium Based Batteries5A thermal-gradient approach to variable-temperature measurements resolved in space22Synthesis of Metastable Inorganic Solids with Extended Structures61Controlling the Self-Assembly of New Metastable Tin Vanadium Selenides Using Composition and Nanoarchitecture of Precursors8A review on molten salt synthesis of metal oxide nanomaterials: Status, opportunity, and challenge362Ba 2 BS 3 Cl and Ba 5 B 2 S 8 Cl 2 : first alkaline-earth metal thioborate halides with [BS 3 ] units21Recent Developments on Molten Salt Synthesis of Inorganic Nanomaterials: A Review207Predictive Synthesis54New Compounds and Phase Selection of Nickel Sulfides via Oxidation State Control in Molten Hydroxides20A thermodynamic criterion for the choice of flux and its validity in NaBO 2 -fluxed β-BaB 2 O 4 crystal growth0Guiding epitaxial crystallization of amorphous solids at the nanoscale: Interfaces, stress, and precrystalline order11In Situ Kinetic Observations on Crystal Nucleation and Growth386Discovery of chalcogenides structures and compositions using mixed fluxes53Advances and challenges in tuning the reversibility & cyclability of room temperature sodium–sulfur and potassium–sulfur batteries with catalytic materials17Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications13Resolving Fast Relative Kinetics in Inorganic Solid-State Synthesis15CsY2M3Se5: The first quaternary chalcogenides of the A–Y–M–Q (A = Rb/Cs; M = Cu/Ag; Q = S/Se) system0Amorphous K–Co–Mo–Sx Chalcogel: A Synergy of Surface Sorption and Ion‐Exchange11An energetic K+-S aqueous battery with 96% sulfur redox utilization58Design and application of Solid Solution Materials in Heterogeneous Photocatalysis2Gene-Inherited [Se2] Dimers in a Reactive Salt Flux: Synthesis of a Quasi-One-Dimensional NbSe2 Superconductor2Nucleation-Limited Phase Formation in the Nb–Se Binary System0Tri-modal machine learning powers efficient catalyst discovery for high-performance energy storage0

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  2. Spatial and Temporal Confinement of Salt Fluxes for the Shape-Controlled Synthesis of Fe2O3 Nanocrystals

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    Amanda K. P. Mann, Jie Fu, Christopher J. DeSantis, Sara E. Skrabalak

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  3. NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor

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  4. Salt melt synthesis of ceramics, semiconductors and carbon nanostructures

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  5. Understanding the Role of Aqueous Solution Speciation and Its Application to the Directed Syntheses of Complex Oxidic Zr Chlorides and Sulfates

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  6. Crystalline and Glassy Phases in the Cs/Bi/As/S System

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  7. Raman spectroscopy and density functional theory analyses of the melt structure in a Li 2 B 4 O 7 crystal growth system

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  8. Ba 2 HgS 5 —A Molecular Trisulfide Salt with Dumbbell-like (HgS 2 ) 2– Ions

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  9. In situ studies of a platform for metastable inorganic crystal growth and materials discovery

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  10. Synthesis, Structural Characterization, and Physical Properties of Cs2Ga2S5, and Redetermination of the Crystal Structure of Cs2S6

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  11. Structural analyses of a K 2 O-rich KNbO 3 melt and the mechanism of KNbO 3 crystal growth

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  12. Time-resolved in situ powder X-ray diffraction reveals the mechanisms of molten salt synthesis

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  13. Perspective: Toward “synthesis by design”: Exploring atomic correlations during inorganic materials synthesis

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  14. Computational and experimental investigation for new transition metal selenides and sulfides: The importance of experimental verification for stability

    Physical review. B./Physical review. B · 2016-07-05

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  15. Circumventing Diffusion in Kinetically Controlled Solid-State Metathesis Reactions

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  16. In situ identification of kinetic factors that expedite inorganic crystal formation and discovery

    Journal of Materials Chemistry C · 2016-12-17

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  17. Toward Reaction-by-Design: Achieving Kinetic Control of Solid State Chemistry with Metathesis

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  18. Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

    Inorganic Chemistry · 2017-03-09

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  19. Reactive Fluxes

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  20. Understanding the polychalcogenides as building blocks to solid state materials: Speciation of polychalcogenides in solutions

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  21. Combinatorial appraisal of transition states for in situ pair distribution function analysis

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  22. In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La 4 Mo 2 O 11 and Ce 4 Mo 2 O 11 : Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth

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  23. In Situ, Time-Resolved, and Mechanistic Studies of Metal–Organic Framework Nucleation and Growth

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  24. Hierarchical Materials as Tailored Nuclear Waste Forms: A Perspective

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  25. Chemical Synthesis of K2S2 and K2S3 for Probing Electrochemical Mechanisms in K–S Batteries

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  26. High Hole Mobility and Nonsaturating Giant Magnetoresistance in the New 2D Metal NaCu4Se4 Synthesized by a Unique Pathway

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  27. A high-energy potassium–sulfur battery enabled by facile and effective imidazole-solvated copper catalysts

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  28. Ba 4 (BS 3 S) 2 S 4 : a new thioborate with unprecedented [BS 3 -S] and [S 4 ] fundamental building blocks

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  29. Impression materials for dental prosthesis

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  35. Magnesium Todorokite: Influence of Morphology on Electrochemistry in Lithium, Sodium and Magnesium Based Batteries

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  40. Ba 2 BS 3 Cl and Ba 5 B 2 S 8 Cl 2 : first alkaline-earth metal thioborate halides with [BS 3 ] units

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  44. A thermodynamic criterion for the choice of flux and its validity in NaBO 2 -fluxed β-BaB 2 O 4 crystal growth

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  47. Discovery of chalcogenides structures and compositions using mixed fluxes

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  48. Advances and challenges in tuning the reversibility & cyclability of room temperature sodium–sulfur and potassium–sulfur batteries with catalytic materials

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