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RESEARCH PAPER · Journal of Materials Chemistry A · 2017

Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs 2 AgInCl 6

Jun Zhou, Zhiguo Xia, Мaxim S. Моlokeev, Xiuwen Zhang, Dongsheng Peng, Quanlin Liu

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Composition design, optical gap and stability investigations of lead-free halide double perovskite Cs 2 AgInCl 6OriginalCs 2 AgInCl 6 Double Perovskite Single Crystals: Parity Forbidden Transitions and Their Application For Sensitive and Fast UV Photodetectors441First – principles calculations on stability and mechanical properties of various ABO3 and their alloys29Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials267Electrical and dielectric properties of bismuth holmium cobalt titanate (BiHoCoTiO6): a complex double perovskite31Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications476Exploring the transposition effects on the electronic and optical properties of Cs 2 AgSbCl 6 via a combined computational-experimental approach138Ba 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations15BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance16Bandgap engineering of a lead-free defect perovskite Cs 3 Bi 2 I 9 through trivalent doping of Ru 3+93First-principles study of anion diffusion in lead-free halide double perovskites73Hybrid Halide Perovskites: Fundamental Theory and Materials Design11Initiation and future prospects of colloidal metal halide double-perovskite nanocrystals: Cs 2 AgBiX 6 (X = Cl, Br, I)101Synthesis and luminescence of Mn-doped Cs 2 AgInCl 6 double perovskites227Highly Stable, New, Organic‐Inorganic Perovskite (CH3NH3)2PdBr4: Synthesis, Structure, and Physical Properties28Near UV-pumped yellow-emitting Sr9MgLi(PO4)7:Eu2+ phosphor for white-light LEDs100Colloidal Nanocrystals of Lead-Free Double-Perovskite (Elpasolite) Semiconductors: Synthesis and Anion Exchange To Access New Materials521Structural, electrical and dielectric properties of double perovskites: BiHoZnZrO6 and BiHoCuTiO637Low‐Bandgap Cs4CuSb2Cl12 Layered Double Perovskite: Synthesis, Reversible Thermal Changes, and Magnetic Interaction99Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting64Rational Design of Halide Double Perovskites for Optoelectronic Applications507Small‐Band‐Gap Halide Double Perovskites172Small‐Band‐Gap Halide Double Perovskites49Lead-free hybrid perovskites for photovoltaics33Lead-Free Halide Double Perovskites: A Review of the Structural, Optical, and Stability Properties as Well as Their Viability to Replace Lead Halide Perovskites259Colloidal Synthesis of Double Perovskite Cs2AgInCl6 and Mn-Doped Cs2AgInCl6 Nanocrystals578Intrinsic Defect Properties in Halide Double Perovskites for Optoelectronic Applications155Lead-Free Direct Band Gap Double-Perovskite Nanocrystals with Bright Dual-Color Emission542Unique ion diffusion properties in lead-free halide double perovskites: A first-principles study21Advances in lead-free double perovskite nanocrystals, engineering band-gaps and enhancing stability through composition tunability191All-inorganic lead-free perovskites for optoelectronic applications211Double perovskite Cs 2 AgInCl 6 :Cr 3+ : broadband and near-infrared luminescent materials343Luminescent perovskites: recent advances in theory and experiments259Colloidal Synthesis of Lead-Free Silver–Indium Double-Perovskite Cs2AgInCl6 Nanocrystals and Their Doping with Lanthanide Ions218Defect Engineering of Grain Boundaries in Lead‐Free Halide Double Perovskites for Better Optoelectronic Performance49Atomistic Mechanism of Broadband Emission in Metal Halide Perovskites296From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives1086Cs 2 NaBiCl 6 :Mn 2+ —A New Orange-Red Halide Double Perovskite Phosphor315Manipulation of Bi 3+ /In 3+ Transmutation and Mn 2+ ‐Doping Effect on the Structure and Optical Properties of Double Perovskite Cs 2 NaBi 1‐ x In x Cl 6209Progress of Lead‐Free Halide Double Perovskites558Potential Applications of Halide Double Perovskite Cs2AgInX6 (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains97Lead‐Free Perovskite Derivative Cs2SnCl6−xBrx Single Crystals for Narrowband Photodetectors166K2xMnxSn3−xS6 (x = 0.5–0.95) (KMS-1) immobilized on the reduced graphene oxide as KMS-1/r-GO aerogel to effectively remove Cs+ and Sr2+ from aqueous solution63Design Optimization of Lead-Free Perovskite Cs2AgInCl6:Bi Nanocrystals with 11.4% Photoluminescence Quantum Yield314Yb- and Mn-Doped Lead-Free Double Perovskite Cs2AgBiX6 (X = Cl–, Br–) Nanocrystals266Inorganic and Layered Perovskites for Optoelectronic Devices138Probing the Stability and Band Gaps of Cs 2 AgInCl 6 and Cs 2 AgSbCl 6 Lead-Free Double Perovskite Nanocrystals213Structural and Functional Diversity in Lead‐Free Halide Perovskite Materials348Disappeared deep charge-states transition levels in the p-type intrinsic CsSnCl3 perovskite41Synthesis and Near-Infrared Emission of Yb-Doped Cs 2 AgInCl 6 Double Perovskite Microcrystals and Nanocrystals185Structurally Stabilizing and Environment Friendly Triggers: Double‐Metallic Lead‐Free Perovskites45High-throughput Computational Study of Halide Double Perovskite Inorganic Compounds192Emissive Bi-Doped Double Perovskite Cs2Ag1–xNaxInCl6 Nanocrystals268Size effect of lead-free halide double perovskite on luminescence property121Broadband White Emission in Cs2AgIn1–xBixCl6 Phosphors81Tin Halide Perovskite (ASnX3) Solar Cells: A Comprehensive Guide toward the Highest Power Conversion Efficiency189Cs 2 NaVCl 6 : A Pb-Free Halide Double Perovskite with Strong Visible and Near-Infrared Light Absorption61Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)35Temperature-dependent photoluminescence of Cs2AgxNa1-xInCl6 microcrystals45Towards predictive band gaps for halide perovskites: Lessons from one-shot and eigenvalue self-consistent GW64Lead‐Free Double Perovskites for Perovskite Solar Cells290Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation64Synthesis and optical properties of colloidal Cs2AgSb1−xBixCl6 double perovskite nanocrystals34Charge-Carrier Dynamics of Lead-Free Halide Perovskite Nanocrystals233Chemical and Structural Diversity of Hybrid Layered Double Perovskite Halides223Sb3+ Doping-Induced Triplet Self-Trapped Excitons Emission in Lead-Free Cs2SnCl6 Nanocrystals279Investigation of the Mn dopant-enhanced photoluminescence performance of lead-free Cs 2 AgInCl 6 double perovskite crystals46Tunable and Stable White Light Emission in Bi 3+ -Alloyed Cs 2 AgInCl 6 Double Perovskite Nanocrystals158Recent Developments in Lead‐Free Double Perovskites: Structure, Doping, and Applications120All-Inorganic Perovskite Solar Cells: Energetics, Key Challenges, and Strategies toward Commercialization254Crystal structures of perovskite halide compounds used for solar cells126Facile solution synthesis of Bi 3+ /Yb 3+ ions co-doped Cs 2 Na 0.6 Ag 0.4 InCl 6 double perovskites with near-infrared emission32First principle study of the structural and optoelectronic properties of direct bandgap double perovskite Cs2AgInCl638Hybrid Halide Perovskites: Fundamental Theory and Materials Design2Melt-grown large-sized Cs 2 TeI 6 crystals for X-ray detection45Recent Advancements in Crystalline Pb-Free Halide Double Perovskites76Ag/In lead‐free double perovskites26Computational functionality‐driven design of semiconductors for optoelectronic applications58Halide Double‐Perovskite Light‐Emitting Centers Embedded in Lattice‐Matched and Coherent Crystalline Matrix38Recent processes on light-emitting lead-free metal halide perovskites99Bi3+‐Er3+ and Bi3+‐Yb3+ Codoped Cs2AgInCl6 Double Perovskite Near‐Infrared Emitters29Bi3+‐Er3+ and Bi3+‐Yb3+ Codoped Cs2AgInCl6 Double Perovskite Near‐Infrared Emitters359Broad-band emission in metal halide perovskites: Mechanism, materials, and applications288Ferrimagnetic semiconductor with a direct bandgap10Recent Advances and Optoelectronic Applications of Lead‐Free Halide Double Perovskites79Incorporating Rare‐Earth Terbium(III) Ions into Cs2AgInCl6:Bi Nanocrystals toward Tunable Photoluminescence335Incorporating Rare‐Earth Terbium(III) Ions into Cs2AgInCl6:Bi Nanocrystals toward Tunable Photoluminescence14Sb 3+ Dopant and Halogen Substitution Triggered Highly Efficient and Tunable Emission in Lead-Free Metal Halide Single Crystals331High‐throughput computational materials screening and discovery of optoelectronic semiconductors100Halide Pb-Free Double–Perovskites: Ternary vs. Quaternary Stoichiometry11Recent Advances in Cs2AgBiBr6‑Based Halide Double Perovskites as Lead-Free and Inorganic Light Absorbers for Perovskite Solar Cells241Carrier Transport Limited by Trap State in Cs2AgBiBr6 Double Perovskites48Highly Efficient Lead-Free (Bi,Ce)-Codoped Cs 2 Ag 0.4 Na 0.6 InCl 6 Double Perovskites for White Light-Emitting Diodes161Composition optimization of lead-free double perovskite Cs2AgIn1-xBixCl6 for efficient and stable photoluminescence23Stability of 2D and 3D Perovskites Due to Inhibition of Light-Induced Decomposition7Halide Mixing and Phase Segregation in Cs2AgBiX6 (X = Cl, Br, and I) Double Perovskites from Cesium-133 Solid-State NMR and Optical Spectroscopy78Multimodal Luminescent Yb3+/Er3+/Bi3+‐Doped Perovskite Single Crystals for X‐ray Detection and Anti‐Counterfeiting300Novel cryogenic dual-emission mechanism of lead-free double perovskite Cs2AgInCl6 and using SiO2 to enhance their photoluminescence and photostability36Bandgap Engineering of Lead-Free Double Perovskite Cs2AgInCl6 Nanocrystals via Cu2+-Doping118Rb3InCl6: A Monoclinic Double Perovskite Derivative with Bright Sb3+-Activated Photoluminescence103Ultrastable Lead-Free Double Perovskite Warm-White Light-Emitting Devices with a Lifetime above 1000 Hours89Solid-State NMR and NQR Spectroscopy of Lead-Halide Perovskite Materials140Lead‐Free Double Perovskite Cs 2 AgInCl 6313Lead‐Free Double Perovskite Cs2AgInCl6111First-principles investigation of structural, elastic, thermodynamic, electronic and optical properties of lead-free double perovskites halides: Cs2LiYX6 (X = Br, I)121Review on recent progress of lead-free halide perovskites in optoelectronic applications254Engineered Electronic Structure and Carrier Dynamics in Emerging Cs2AgxNa1–xFeCl6 Perovskite Single Crystals39The Cs2AgRhCl6 Halide Double Perovskite: A Dynamically Stable Lead-Free Transition-Metal Driven Semiconducting Material for Optoelectronics75Anomalous Octahedron Distortion of Bi-Alloyed Cs2AgInCl6 Crystal via XRD, Raman, Huang–Rhys Factor, and Photoluminescence111A Review on Lead-Free Hybrid Halide Perovskites as Light Absorbers for Photovoltaic Applications Based on Their Structural, Optical, and Morphological Properties51Lead‐Free Halide Double Perovskites: Structure, Luminescence, and Applications131Development of structure and tuning ability of the luminescence of lead-free halide perovskite nanocrystals (NCs)43AB 11 O 16 (OH) 2 (A = K and Cs): interpenetrating 2D layers with large birefringence7Perovskite-inspired materials for photovoltaics and beyond—from design to devices206Cs4FeBiBr10: An Example of a New-Type A4BB′X10 Lead-Free Metal Halide Perovskite Single Crystal3Elpasolite structures based on A2AgBiX6 (A: MA, Cs, X: I, Br): Application in double perovskite solar cells67Air stable and highly efficient Bi 3+ -doped Cs 2 SnCl 6 for blue light-emitting diodes25All-inorganic tin-doped Cs 2 BiAgCl 6 double perovskites with stable blue photoluminescence for WLEDs23Lattice Doping of Lanthanide Ions in Cs 2 AgInCl 6 Nanocrystals Enabling Tunable Photoluminescence45Photoconductive Detectors Based on Perovskite Quantum Dots or Nanocrystals: From Lead-Based System to Lead-Free System0Preparation and Optical Properties of Na-Doped CsCuCl3 Single Crystals0Recent Advances and Opportunities of Lead-Free Perovskite Nanocrystal for Optoelectronic Application95Recent progress of zero-dimensional luminescent metal halides873Self-trapped exciton to dopant energy transfer in Sb 3+ -doped Cs 2 ZrCl 6 perovskite variants45Semiconductor to metallic transition under induced pressure in Cs 2 AgBiBr 6 double halide perovskite: a theoretical DFT study for photovoltaic and optoelectronic applications82Structural, morphological, dielectric and optical properties of double perovskites RBaFeTiO 6 (R = La, Eu)84Structural and optoelectronic behavior of the copper-doped Cs2AgInCl6 double perovskite: A density functional theory investigation37Electronic and optical properties of halide double-perovskites under strain: a density functional study14Sublattice mixing in Cs2AgInCl6 for enhanced optical properties from first-principles23Lead-free halide double perovskites: Toward stable and sustainable optoelectronic devices150Structural, electronic, optical, thermoelectric, and transport properties of indium-based double perovskite halides Cs2InAgX6 (X = Cl, Br, I) for energy applications116Layered Cs4CuSb2Cl12 Nanocrystals for Sunlight-Driven Photocatalytic Degradation of Pollutants3997.3% Pb-Reduced CsPb1–xGexBr3 Perovskite with Enhanced Phase Stability and Photovoltaic Performance through Surface Cu Doping23Formation and Stabilization of Inorganic Halide Perovskites for Photovoltaics43Influence of Transition Metal Doping on the Structural and Electronic Behaviour of Quaternary Double Perovskite, Cs2AgInCl6, using First-Principles Calculations4The bandgap regulation and optical properties of alloyed Cs2NaSbX6 (X=Cl, Br, I) systems with first principle method27Photoluminescence of Singlet/Triplet Self‐Trapped Excitons in Sb3+‐Based Metal Halides293All‐Inorganic Lead‐Free Perovskite(‐Like) Single Crystals: Synthesis, Properties, and Applications108Doubling the Stakes: The Promise of Halide Double Perovskites159Doubling the Stakes: The Promise of Halide Double Perovskites55Lead‐Free Halide Double Perovskite Nanocrystals for Light‐Emitting Applications: Strategies for Boosting Efficiency and Stability200Comparative study on the morphology, growth mechanism and luminescence property of RE2O2S:Eu3+ (RE = Lu, Gd, Y) phosphors23Highly-efficient and stable photocatalytic activity of lead-free Cs2AgInCl6 double perovskite for organic pollutant degradation113A Review on Cs-Based Pb-Free Double Halide Perovskites: From Theoretical and Experimental Studies to Doping and Applications73Synthetic approaches for thin-film halide double perovskites38Nanometer-Thick Cs2SnI6 Perovskite–Polyethylene Glycol Dimethacrylate Composite Films for Highly Stable Broad-Band Photodetectors18Enhanced Photoluminescence of Colloidal Lead‐Free Double Perovskite Cs2Ag1−xNaxInCl6 Nanocrystals Doped with Manganese40Recent Progress of Chiral Perovskites: Materials, Synthesis, and Properties311Sb-Doped Metal Halide Nanocrystals: A 0D versus 3D Comparison168Lead-free rare-earth double perovskite Cs2AgIn1−γ−xBixLaγCl6 nanocrystals with highly efficient warm-white emission35Advances in Lead-Free Perovskite Single Crystals: Fundamentals and Applications124

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  1. Cs 2 AgInCl 6 Double Perovskite Single Crystals: Parity Forbidden Transitions and Their Application For Sensitive and Fast UV Photodetectors

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  2. First – principles calculations on stability and mechanical properties of various ABO3 and their alloys

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  4. Electrical and dielectric properties of bismuth holmium cobalt titanate (BiHoCoTiO6): a complex double perovskite

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  5. Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications

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  6. Exploring the transposition effects on the electronic and optical properties of Cs 2 AgSbCl 6 via a combined computational-experimental approach

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  7. Ba 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations

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  8. BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance

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  9. Bandgap engineering of a lead-free defect perovskite Cs 3 Bi 2 I 9 through trivalent doping of Ru 3+

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  10. First-principles study of anion diffusion in lead-free halide double perovskites

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  11. Hybrid Halide Perovskites: Fundamental Theory and Materials Design

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  12. Initiation and future prospects of colloidal metal halide double-perovskite nanocrystals: Cs 2 AgBiX 6 (X = Cl, Br, I)

    Journal of Materials Chemistry A · 2018-01-01

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  13. Synthesis and luminescence of Mn-doped Cs 2 AgInCl 6 double perovskites

    Chemical Communications · 2018-01-01

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  14. Highly Stable, New, Organic‐Inorganic Perovskite (CH3NH3)2PdBr4: Synthesis, Structure, and Physical Properties

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  16. Colloidal Nanocrystals of Lead-Free Double-Perovskite (Elpasolite) Semiconductors: Synthesis and Anion Exchange To Access New Materials

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  17. Structural, electrical and dielectric properties of double perovskites: BiHoZnZrO6 and BiHoCuTiO6

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  19. Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting

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  20. Rational Design of Halide Double Perovskites for Optoelectronic Applications

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  24. Lead-Free Halide Double Perovskites: A Review of the Structural, Optical, and Stability Properties as Well as Their Viability to Replace Lead Halide Perovskites

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  25. Colloidal Synthesis of Double Perovskite Cs2AgInCl6 and Mn-Doped Cs2AgInCl6 Nanocrystals

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  26. Intrinsic Defect Properties in Halide Double Perovskites for Optoelectronic Applications

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  30. All-inorganic lead-free perovskites for optoelectronic applications

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  31. Double perovskite Cs 2 AgInCl 6 :Cr 3+ : broadband and near-infrared luminescent materials

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  32. Luminescent perovskites: recent advances in theory and experiments

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  33. Colloidal Synthesis of Lead-Free Silver–Indium Double-Perovskite Cs2AgInCl6 Nanocrystals and Their Doping with Lanthanide Ions

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  34. Defect Engineering of Grain Boundaries in Lead‐Free Halide Double Perovskites for Better Optoelectronic Performance

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  35. Atomistic Mechanism of Broadband Emission in Metal Halide Perovskites

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  36. From Lead Halide Perovskites to Lead‐Free Metal Halide Perovskites and Perovskite Derivatives

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  37. Cs 2 NaBiCl 6 :Mn 2+ —A New Orange-Red Halide Double Perovskite Phosphor

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  38. Manipulation of Bi 3+ /In 3+ Transmutation and Mn 2+ ‐Doping Effect on the Structure and Optical Properties of Double Perovskite Cs 2 NaBi 1‐ x In x Cl 6

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  39. Progress of Lead‐Free Halide Double Perovskites

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  40. Potential Applications of Halide Double Perovskite Cs2AgInX6 (X = Cl, Br) in Flexible Optoelectronics: Unusual Effects of Uniaxial Strains

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  41. Lead‐Free Perovskite Derivative Cs2SnCl6−xBrx Single Crystals for Narrowband Photodetectors

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    Jun Zhou, Jiajun Luo, Ximing Rong, Peijia Wei, Мaxim S. Моlokeev, Yang Huang, Jing Wei Zhao, Quanlin Liu, Xiuwen Zhang, Jiang Tang, Zhiguo Xia

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  42. K2xMnxSn3−xS6 (x = 0.5–0.95) (KMS-1) immobilized on the reduced graphene oxide as KMS-1/r-GO aerogel to effectively remove Cs+ and Sr2+ from aqueous solution

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  43. Design Optimization of Lead-Free Perovskite Cs2AgInCl6:Bi Nanocrystals with 11.4% Photoluminescence Quantum Yield

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  44. Yb- and Mn-Doped Lead-Free Double Perovskite Cs2AgBiX6 (X = Cl–, Br–) Nanocrystals

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  45. Inorganic and Layered Perovskites for Optoelectronic Devices

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