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RESEARCH PAPER · Inorganic Chemistry · 2017

Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases

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Discovery-Synthesis, Design, and Prediction of Chalcogenide PhasesOriginalCopper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3–xSe214Mercouri G. Kanatzidis: Excellence and Innovations in Inorganic and Solid-State Chemistry9Enhancing p-Type Thermoelectric Performances of Polycrystalline SnSe via Tuning Phase Transition Temperature139Homologous Series of 2D Chalcogenides Cs–Ag–Bi–Q (Q = S, Se) with Ion-Exchange Properties27Synthetic Nanosheets of Natural van der Waals Heterostructures49Synthetic Nanosheets of Natural van der Waals Heterostructures13The Mineral Stützite: a Zintl-Phase or Polar Intermetallic? A Case Study Using Experimental and Quantum-Chemical Techniques23K 2 MnGe 3 S 8 : a new multifunctional semiconductor featuring [MnGe 3 S 8 ] 2− layers and demonstrating interesting nonlinear optical response and antiferromagnetic properties33Na 3 Ca 4 (TeO 3 )(PO 4 ) 3 : a new noncentrosymmetric tellurite phosphate with fascinating multimember-ring architectures and intriguing nonlinear optical performance30The journey of tin chalcogenides towards high-performance thermoelectrics and topological materials114PbGa2GeS6 crystal as a novel nonlinear optical material: Band structure aspects36Quaternary Pavonites A1+xSn2–xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure19Superconductivity in the 2‐Dimensional Homologous Series AMmBi3Q5+m (m=1, 2) (A=Rb, Cs; M=Pb, Sn; Q=Se, Te)5Thioaluminogermanate M(AlS2)(GeS2)4 (M = Na, Ag, Cu): Synthesis, Crystal Structures, Characterization, Ion-Exchange and Solid-State 27Al and 23Na NMR Spectroscopy9Cornucopia of Structures in the Pseudobinary System (SnSe)xBi2Se3: A Crystal-Chemical Copycat13Optical and non-linear optical properties of the solid solutions AgGaGe3(1–x)Si3xSe82[Hg4Te8(Te2)4]8−: A Heavy Metal Porphyrinoid Embedded in a Lamellar Structure31[Hg4Te8(Te2)4]8−: ein Schwermetall‐Porphyrinoid in einer lamellaren Struktur10Quaternary rare-earth selenides Ba2REGaSe5 and Ba2REInSe56Quaternary sulfide Ba5Cd2Ga2S10 containing chains of edge- and corner-sharing tetrahedra16Defect Engineering for High-Performance n-Type PbSe Thermoelectrics206Photoconductivity and laser operated piezoelectricity the Ag-Ga-Ge-(S,Se) crystals and solid solutions7The 2019 materials by design roadmap322Two-Dimensional CsAg5Te3–xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity28Recent advances in the self-assembly of polynuclear metal–selenium and –tellurium compounds from 14–16 reagents2Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies16Rapid Phase Screening via Hydride Route: A Discovery of K8–xZn18+3xSb1626Emerging Investigators in Solid-State Inorganic Chemistry2High Hole Mobility and Nonsaturating Giant Magnetoresistance in the New 2D Metal NaCu4Se4 Synthesized by a Unique Pathway23Recent progress on new infrared nonlinear optical materials with application prospect133Thermoelectric Material SnPb2Bi2S6: The 4,4L Member of Lillianite Homologous Series with Low Lattice Thermal Conductivity12Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13Flux crystal growth: a versatile technique to reveal the crystal chemistry of complex uranium oxides49SnGa 2 GeSe 6 , a benign addition to the AMIII2M IV Q 6 family: synthesis, crystal structure and nonlinear optical performance20Unexplored reactivity of (S n ) 2− oligomers with transition metals in low-temperature solid-state reactions13SrCdGeS4 and SrCdGeSe4: Promising Infrared Nonlinear Optical Materials with Congruent-Melting Behavior74Unexplored reactivity of (Sn)2- Oligomers with transition metals in low-temperature solid-state reactions0Broadening Frontiers of Infrared Nonlinear Optical Materials with π-Conjugated Trigonal-Planar Groups67Surface Oxide Removal for Polycrystalline SnSe Reveals Near-Single-Crystal Thermoelectric Performance259Heteroanionic Materials by Design: Progress Toward Targeted Properties237Role of f Electrons in the Optical and Photoelectrochemical Behavior of Ca(La1–xCex)2S4 (0 ≤ x ≤ 1)3Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity42In Situ Neutron Diffraction Studies of the Metal Flux Growth of Ba/Yb/Mg/Si Intermetallics16High Thermoelectric Performance in n-Type Polycrystalline SnSe via Dual Incorporation of Cl and PbSe and Dense Nanostructures57Interaction in quasibinary systems based on TlSbP2Se6 and compounds of the Tl2Se-Sb2Se3 system0Targeted Synthesis of Uranium(IV) Thiosilicates9Electronic Bands and Dielectric Functions of In0.5Tl0.5I Solid State Solution with Structural Defects16KCu7P3: A Two-Dimensional Noncentrosymmetric Metallic Pnictide7Dimensional Control in Polyoxometalate Crystals Hybridized with Amphiphilic Polymerizable Ionic Liquids7DFT + U and Low-Temperature XPS Studies of Fe-Depleted Chalcopyrite (CuFeS2) Surfaces: A Focus on Polysulfide Species44Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer9One-Dimensional Quaternary and Penternary Alkali Rare Earth Thiophosphates Obtained via Alkali Halide Flux Crystal Growth12Synthèse de nanomatériaux riches en bore0From NaZn4Sb3 to HT-Na1–xZn4–ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties28Antiferromagnetic Semiconductor BaFMn0.5Te with Unique Mn Ordering and Red Photoluminescence13Glass-like electronic and thermal transport in crystalline cubic germanium selenide38Ir 6 In 32 S 21 , a polar, metal-rich semiconducting subchalcogenide11PHASE DIAGRAM OF THE SnSb2Te4–SnBi2Te4 SYSTEM AND SOME PROPERTIES OF THE SnSb2-xBixTe4 SOLID SOLUTIONS4Investigation of micro-indentation hardness of Bi2Te3 based composite thermoelectric materials6Layered materials with 2D connectivity for thermoelectric energy conversion133Nearly Identical but Not Isotypic: Influence of Lanthanide Contraction on Cs2NaLn(PS4)2 (Ln = La–Nd, Sm, and Gd–Ho)23Synthesizing Crystalline Chalcogenidoarsenates in Thiol–Amine Solvent Mixtures26Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement97The Subchalcogenides Ir2In8Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation12A Layered Tin Bismuth Selenide with Three Different Building Blocks that Account for an Extremely Large Lattice Parameter of 283 Å4NaGaS2: An Elusive Layered Compound with Dynamic Water Absorption and Wide‐Ranging Ion‐Exchange Properties26NaGaS2: An Elusive Layered Compound with Dynamic Water Absorption and Wide‐Ranging Ion‐Exchange Properties8Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides8Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques19Functional Chalcogenide Na2HgSn2Se6 and K2MnGe2Se6 Exhibiting Flexible Chain Structure and Intriguing Birefringence Tunability16Glassy Flux Protocol to Confine Lead-Free CsSnX3 Nanocrystals into Transparent Solid Medium17“Soft” Alkali Bromide and Iodide Fluxes for Crystal Growth36Facile Oxide to Chalcogenide Conversion for Actinides Using the Boron-Chalcogen Mixture Method38TlSbP2Se6 - a new layered single crystal: growth, structure and electronic properties14Trigonal polymorph of Li2MnO34Effect of Pb Substitution in Sr2-xPbxGeSe4 on Crystal Structures and Nonlinear Optical Properties Predicted by DFT Calculations17Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques132D Nanosheets of Topological Quantum Materials from Homologous (Bi2) m (Bi2Se3) n Heterostructures: Synthesis and Ultralow Thermal Conductivity54Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75AMnAs3S6 (A = Cs, Rb): Phase-Matchable Infrared Nonlinear Optical Functional Motif [As3S6]3– Obtained via Surfactant–Thermal Method32Preparation of Cu4SnS4/CuCo2S4 Nanoparticles Using Combustion Reaction Accelerated by Organic Driving Agents under Microwave Irradiation0Pavonite homologues as potential n-type thermoelectric materials: crystal structure and performance16Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions20Mechanistic insight of KBiQ 2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design27In4Pb5.5Sb5S19: A Stable Quaternary Chalcogenide with Low Thermal Conductivity11Ternary antimonide NaCd4Sb3: Hydride synthesis, crystal structure and transport properties0Trends in rare earth thiophosphate syntheses: Rb 3 Ln(PS 4 ) 2 (Ln = La, Ce, Pr), Rb 3−x Na x Ln(PS 4 ) 2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS 4 obtained by molten flux crystal growth5Predicting the Outcomes of Material Syntheses with Deep Learning13Chemical synthesis of micro-nano structure PbBi2S4 under different pressures with the aid of EDTA-2Na1Eu2CuSe3 Revisited by Means of Experimental and Quantum‐Chemical Techniques11P2S5 Reactive Flux Method for the Rapid Synthesis of Mono- and Bimetallic 2D Thiophosphates M2–xM′xP2S631Two Series of Main-Group Heterometallic Selenides Synthesized in Two Different Types of Ionic Liquids16Two silver chalcogenidoantimonates synthesized in piperazine and their high performances for visible-light driven Cr(VI) reduction20Ternary Zinc Antimonides Unlocked Using Hydride Synthesis14Synthesis and study of a novel 9P-type mixed layered tetradymite-like GeBi4Te4 compound in the Ge-Te-Bi system3High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units18Sodium-Stuffed Open-Framework Quaternary Chalcogenide Built with (Cu2Ga6S18)16– Ribbons Cross-Linked by Unusual Linear Cu(I) Pillars2Long‐Range Forces in Rock‐Salt‐Type Tellurides and How they Mirror the Underlying Chemical Bonding61New Compounds and Phase Selection of Nickel Sulfides via Oxidation State Control in Molten Hydroxides20Design Principles for Multinary Metal Chalcogenides: Toward Programmable Reactivity in Energy Conversion31In Situ Methods for Metal-Flux Synthesis in Inert Environments11Rb 3 Er 4 Cu 5 Te 10 : Exploring the Frontier between Polar Intermetallics and Zintl‐Phases via Experimental and Quantumchemical Approaches11Panoramic (in beam) studies of materials synthesis1Porous Layered Inorganic–Organic Hybrid Frameworks Constructed from Polyoxovanadate and Bolaamphiphiles8A Low-Temperature Structural Transition in Canfieldite, Ag8SnS6, Single Crystals14Synthesis and characterization of new multinary selenides Sn4In5Sb9Se25 and Sn6.13Pb1.87In5.00Sb10.12Bi2.88Se355(BA) 10 AgBi 2 Br 19 : a one-dimensional halide double perovskite with a unique Br trimer7Determination of the Boundaries of Solid Solutions in the MnTe-Sb2Te3 and SnTe-Sb2Te3 Systems3Generalized synthesis of NaCrO 2 particles for high-rate sodium ion batteries prepared by microfluidic synthesis in segmented flow5Geoinspired syntheses of materials and nanomaterials22Lanthanide thioborates, an emerging class of nonlinear optical materials, efficiently synthesized using the boron–chalcogen mixture method23Reaction surfaces and interfaces of metal sulfides: cryo-XPS meets HAXPES and DFT9Unconventional synthesis of novel borides: interplay between crystal structures, magnetic and catalytic properties0Investigation of Metastable Low Dimensional Halometallates5Orbitale als Ausgangspunkt der Chemischen Bindung in Ge−Sb−Te‐Phasenwechselmaterialien**1The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials**65Layered thermoelectric materials: Structure, bonding, and performance mechanisms80Polyoxomolybdate Layered Crystals Constructed from a Heterocyclic Surfactant: Syntheses, Pseudopolymorphism and Introduction of Metal Cations4High temperature hydrothermal synthesis of inorganic compounds5Ternary antimonide NaCd4Sb3: hydride synthesis, crystal structure and transport properties7NaBaBS3: A Promising Infrared Functional Material with Large Birefringence Induced by π-Conjugated [BS3] Units32Mixed Anion Semiconductor In8S2.82Te6.18(Te2)33Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means11Use of Refractory‐Volatile Element Deep Eutectic Regions to Grow Single Crystalline Intermetallic Compounds21Path Less Traveled: A Contemporary Twist on Synthesis and Traditional Structure Solution of Metastable LiNi12B88Structures and Magnetic Properties of K2Pd4U6S17, K2Pt4U6S17, Rb2Pt4U6S17, and Cs2Pt4U6S17 Synthesized Using the Boron–Chalcogen Mixture Method10Sterically Invariant Carborane-Based Ligands for the Morphological and Electronic Control of Metal–Organic Chalcogenolate Assemblies25Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family21Antimony nitride discovered by theoretical structure prediction, rapid thermal annealing, and in situ X-ray diffraction12Layered Zn-based semiconductors K2Zn3S4 and Rb2Zn3Se4: Crystal growth, structure and potential p-type transparent conductivity2A crystalline organic hybrid indium antimony sulfide for high performance lithium/sodium storage11Discovery of chalcogenides structures and compositions using mixed fluxes53Rational discovery of solid materials by tuning a hot two-part solution0Nanomaterials as multimodal photothermal agents (PTAs) against ‘Superbugs’30Single-crystal growth of layered metallic materials of TiTe 2 based on a polytelluride flux method11Tunable Salt-Inclusion Chalcogenides for Ion Exchange, Photoluminescence, and Scintillation12Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor2Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors5Sr(Ag1−xLix)2Se2 and [Sr3Se2][(Ag1−xLix)2Se2] Tunable Direct Band Gap Semiconductors0Cs2Ln3CuS8 (Ln = La–Nd, Sm–Tb): Synthesis, Crystal Structure, and Magnetic and Optical Properties9Synthesizing Mono- and Bimetallic 2D Selenophosphates Using a P2Se5 Reactive Flux7Crystal Structures and Property Measurements of Rare Earth Magnesium Thiosilicates Synthesized via Flux Crystal Growth Utilizing the Boron Chalcogen Mixture (BCM) Method15Study of thermoelectric properties of polycrystalline SnSe by Ag and Pb co-doping8Conductivity, thermoelectric, and magnetic properties of pavonite homologue In0.45Mn2.17Bi3.38Se8 with N = 34Advances in Chalcogenide Crystal Growth: Flux and Solution Syntheses, and Approaches for Postsynthetic Modifications13Transformation of K2Sb8Q13 and KSb5Q8 Bulk Crystals to Sb2Q3 (Q = S, Se) Nanofibers by Acid–Base Solution Chemistry7Phase Discovery and Selected Synthesis of Subvalent Niobium Tellurides Using a Polytelluride Flux Strategy3Electron deficiency in 2D chalcogenide NaCu4S3 with metallic properties2BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Functional Alkali Metal-Based Ternary Chalcogenides: Design, Properties, and Opportunities50

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  2. Mercouri G. Kanatzidis: Excellence and Innovations in Inorganic and Solid-State Chemistry

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  3. Enhancing p-Type Thermoelectric Performances of Polycrystalline SnSe via Tuning Phase Transition Temperature

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  4. Homologous Series of 2D Chalcogenides Cs–Ag–Bi–Q (Q = S, Se) with Ion-Exchange Properties

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  5. Synthetic Nanosheets of Natural van der Waals Heterostructures

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  8. K 2 MnGe 3 S 8 : a new multifunctional semiconductor featuring [MnGe 3 S 8 ] 2− layers and demonstrating interesting nonlinear optical response and antiferromagnetic properties

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  9. Na 3 Ca 4 (TeO 3 )(PO 4 ) 3 : a new noncentrosymmetric tellurite phosphate with fascinating multimember-ring architectures and intriguing nonlinear optical performance

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  19. Quaternary rare-earth selenides Ba2REGaSe5 and Ba2REInSe5

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  25. Recent advances in the self-assembly of polynuclear metal–selenium and –tellurium compounds from 14–16 reagents

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  26. Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies

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  27. Rapid Phase Screening via Hydride Route: A Discovery of K8–xZn18+3xSb16

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  28. Emerging Investigators in Solid-State Inorganic Chemistry

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

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  30. Recent progress on new infrared nonlinear optical materials with application prospect

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  31. Thermoelectric Material SnPb2Bi2S6: The 4,4L Member of Lillianite Homologous Series with Low Lattice Thermal Conductivity

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  32. Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response

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  34. SnGa 2 GeSe 6 , a benign addition to the AMIII2M IV Q 6 family: synthesis, crystal structure and nonlinear optical performance

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  35. Unexplored reactivity of (S n ) 2− oligomers with transition metals in low-temperature solid-state reactions

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    arXiv (Cornell University) · 2019-01-07

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    Chemistry of Materials · 2019-04-09

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  43. In Situ Neutron Diffraction Studies of the Metal Flux Growth of Ba/Yb/Mg/Si Intermetallics

    Inorganic Chemistry · 2019-05-24

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  44. High Thermoelectric Performance in n-Type Polycrystalline SnSe via Dual Incorporation of Cl and PbSe and Dense Nanostructures

    ACS Applied Materials & Interfaces · 2019-05-28

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  45. Interaction in quasibinary systems based on TlSbP2Se6 and compounds of the Tl2Se-Sb2Se3 system

    Ukrainian Chemistry Journal · 2019-06-07

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    Inorganic Chemistry · 2019-06-10

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    Journal of Electronic Materials · 2019-07-08

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    Inorganic Chemistry · 2019-07-15

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    Materials · 2019-07-16

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    The Journal of Physical Chemistry C · 2019-08-15

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