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RESEARCH PAPER · Chemistry of Materials · 2016

Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH 3 ) 3 SnX 3 (X = Cl, Br)

Yangyang Dang, Cheng Zhong, Guodong Zhang, Dianxing Ju, Lei Wang, Sheng‐Qing Xia, Haibing Xia, Xutang Tao

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Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH 3 ) 3 SnX 3 (X = Cl, Br)OriginalMolecular conformation and packing: their critical roles in the emission performance of mechanochromic fluorescence materials599Lead-Free Perovskite Solar Cells213Progress in organic-inorganic hybrid halide perovskite single crystal: growth techniques and applications79Structural Evolution in BaSn2F5X (X = Cl, Br, I): A Family of Alkaline Earth Metal Tin Mixed Halides15Recent Progress in Single‐Crystalline Perovskite Research Including Crystal Preparation, Property Evaluation, and Applications305Nonlinear Optical Crystal Rb 4 Sn 3 Cl 2 Br 8 : Synthesis, Structure, and Characterization32Elastic, Optoelectronic and Thermoelectric Properties of the Lead-Free Halide Semiconductors Cs2AgBiX 6 (X = Cl, Br): Ab Initio Investigation122Role of a hydrophobic scaffold in controlling the crystallization of methylammonium antimony iodide for efficient lead-free perovskite solar cells69Layered hybrid perovskite solar cells based on single-crystalline precursor solutions with superior reproducibility20Exploring Anomalous Polarization Dynamics in Organometallic Halide Perovskites55Tunable Band Gap and Long Carrier Recombination Lifetime of Stable Mixed CH3NH3PbxSn1–xBr3 Single Crystals136Metal Halide Perovskite Single Crystals: From Growth Process to Application46The structural, electronic, and optical properties of organic–inorganic mixed halide perovskites CH 3 NH 3 Pb(I 1− y X y ) 3 ( X = Cl, Br)17Organic–inorganic metal halide hybrids beyond perovskites158Metal Halide Perovskites: From Crystal Formations to Light‐Emitting‐Diode Applications42Exploring Anisotropy on Oriented Wafers of MAPbBr3 Crystals Grown by Controlled Antisolvent Diffusion100Nouveaux matériaux perovskites ferroélectriques : céramiques et couches minces issues de la solution solide (Sr₂Ta₂O₇)₁₀₀₋ₓ(La₂Ti₂O₇)ₓ0Recent advances and future perspectives on infrared nonlinear optical metal halides223Multi-inch single-crystalline perovskite membrane for high-detectivity flexible photosensors308State of the Art of Boron and Tin Complexes in Second- and Third-Order Nonlinear Optics §29[C5H12N]SnCl3: A Tin Halide Organic–Inorganic Hybrid as an Above‐Room‐Temperature Solid‐State Nonlinear Optical Switch56Single-crystalline lead halide perovskite wafers for high performance photodetectors45Organic‐Inorganic Hybrid Perovskite Single Crystals: Crystallization, Molecular Structures, and Bandgap Engineering38Guanidinium and Mixed Cesium–Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting33Fundamental Thermoelectric Properties in Organic Heterojunctions from Molecular to Thin‐Film and Hybrid Designs10Exploring Organic Metal Halides with Reversible Temperature‐Responsive Dual‐Emissive Photoluminescence80Interface engineering strategies towards Cs 2 AgBiBr 6 single-crystalline photodetectors with good Ohmic contact behaviours110Crystallization of Ionically Bonded Organic Metal Halide Hybrids4Layered hybrid lead perovskite single crystals: phase transformations and tunable optical properties12Two-dimensional organic–inorganic hybrid Ruddlesden–Popper perovskite materials: preparation, enhanced stability, and applications in photodetection61Bulk Chiral Halide Perovskite Single Crystals for Active Circular Dichroism and Circularly Polarized Luminescence158A Series of Organic–Inorganic Hybrid Compounds [(C2H5)4N]InCl4–xBrx (x = 0, 2, 4): Synthesis, Crystal Structure, and Nonlinear Optical Properties37Targeted Synthesis of Trimeric Organic–Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission29Exploring performances of hybrid perovskites tin-based photovoltaic solar cells: Non-equilibrium Green's functions and macroscopic approaches21Advancing Tin Halide Perovskites: Strategies toward the ASnX3 Paradigm for Efficient and Durable Optoelectronics84A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Growth of metal halide perovskite materials64Structural Evolution and Optical Property Tunability by Halogen Substitution in [N(CH3)4]MX2 (M = Ga+, In+, X = Cl, Br): A Family of Organically Templated Metal Halides8Layered Perovskite (CH3NH3)2Pb(SCN)2I2 Single Crystals: Phase Transition and Moisture Stability26Organic-inorganic hybrid lead halides as absorbers in perovskite solar cells: a debate on ferroelectricity38Crystal structure, DFT studies and thermal characterization of new luminescent stannate (IV) based inorganic-organic hybrid compound80Recent advances of lead-free metal halide perovskite single crystals and nanocrystals: synthesis, crystal structure, optical properties, and their diverse applications74Nonlinear optical properties of halide perovskites and their applications202Solution and Solid‐Phase Growth of Bulk Halide Perovskite Single Crystals10Perovskite Single Crystals: Synthesis, Optoelectronic Properties, and Application161Rapid growth of the CH 3 NH 3 PbCl 3 single crystal by microwave irradiation5Syntheses, structure and properties of a new series of organic–inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations15Discovery of Lead-Free Hybrid Organic/Inorganic Perovskites Using Metaheuristic-Driven DFT Calculations30Chiral halide perovskite crystals for optoelectronic applications238Synergistic Engineering of Natural Carnitine Molecules Allowing for Efficient and Stable Inverted Perovskite Solar Cells38Acentric Organic–Inorganic Hybrid Halide [N(CH3)4]2HgBr2I2 Featuring an Isolated [HgBr2I2]2– Tetrahedron and Second-Order Nonlinearity18Research Progress on Structure and Property of Hybrid Organic-Inorganic Perovskite4Ferroelectric and Charge Transport Properties in Strain-Engineered Two-Dimensional Lead Iodide Perovskites17Optical properties of Pb0.52Zr0.48TiO3 nanorod arrays: second harmonic generation and multiphoton carrier dynamics2Tunable phase transition, band gap and SHG properties by halogen replacement of hybrid perovskites [(thiomorpholinium)PbX3, X = Cl, Br, I]75Low pH-induced lone-pair activity in the hybrid (C6H10N2)[SnCl3]Cl: Chemical study and physical characterizations6Investigations of Lead Free Halides in Sodium Based Double Perovskites Cs2NaBiX6(X=Cl, Br, I): an Ab Intio Study25Broad Photoluminescence and Second-Harmonic Generation in the Noncentrosymmetric Organic–Inorganic Hybrid Halide (C6H5(CH2)4NH3)4MX7·H2O (M = Bi, In, X = Br or I)83Dicyanamide-perovskites at the edge of dense hybrid organic–inorganic materials210D chiral hybrid indium( iii ) halides for second harmonic generation27Air-grown hybrid copper( i ) halide single crystals: structural transformations and ultraviolet-pumped photoluminescence applications36Chelation-activated ultralong room-temperature phosphorescence and thermo-/excitation-dependent persistent luminescence4Rational design of mixed Sn–Ge based hybrid halide perovskites for optoelectronic applications: a first principles study13Chiral Hybrid Copper(I) Halides for High Efficiency Second Harmonic Generation with a Broadband Transparency Window112Chiral Hybrid Copper(I) Halides for High Efficiency Second Harmonic Generation with a Broadband Transparency Window13First-principles insight into the structural and optoelectronic properties of Sn- and Pb-based hybrid halide perovskites for photovoltaic applications9Synthesis, Crystal Structure, and Broadband Emission of (CH3)3SSnCl314Chiral Hybrid Copper(I) Iodide Single Crystals Enable Highly Selective Ultraviolet-Pumped Circularly Polarized Luminescence Applications54Halide Perovskite Crystallization Processes and Methods in Nanocrystals, Single Crystals, and Thin Films163Organic–Inorganic Hybrid Tin Halide Single Crystals with Sulfhydryl and Hydroxyl Groups: Formation, Optical Properties, and Stability6Enantiomorphic Single Crystals of Linear Lead(II) Bromide Perovskitoids with White Circularly Polarized Emission64Enantiomorphic Single Crystals of Linear Lead(II) Bromide Perovskitoids with White Circularly Polarized Emission9Investigation of optical, TD-DFT calculation and electrical conductivity in semiconducting [(CH3)NH3]2ZnBr44Density functional theory screening of some fundamental physical properties of Cs2InSbCl6 and Cs2InBiCl6 double perovskites128Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation123Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation8Progress of Metal Halide Perovskite Crystals From a Crystal Growth Point of View13Achieving Large Second Harmonic Generation Effects via Optimal Planar Alignment of Triangular Units64Oxidation-induced phase transformations of hybrid tin bromide single crystals enable the occurrence of second-harmonic generation14Halide Perovskite: A Promising Candidate for Next‐Generation X‐Ray Detectors220Advances of metal halide perovskite large-size single crystals in photodetectors: from crystal materials to growth techniques21Crystal structure and optical characterization of a new hybrid compound, C 6 H 9 N 2 FeCl 4 , with large dielectric constants for field-effect transistors36Recent Progress on Synthesis, Intrinsic Properties and Optoelectronic Applications of Perovskite Single Crystals69Advances in the Synthesis of Halide Perovskite Single Crystals for Optoelectronic Applications111Achiral Fluorinated Aromatic Ligands Based Chiral Hybrid Antimony Halides with High‐Efficiency Second‐Harmonic Generation18A first‐principles investigation into the rational design of Sn‐halide perovskite materials as an alternative to Pb‐based perovskites7Humidity-Driven Color-Fluorescence Dual Switching of Naphthalenediimide Aggregates3A review of the relationship between the structure and nonlinear optical properties of organic-inorganic hybrid materials150Large‐Scale Perovskite Single Crystal Growth and Surface Patterning Technologies23A2LiGaI6 (A = Cs, Rb): New lead-free and direct bandgap halide double perovskites for IR application23Photoluminescence and Nonlinear Optical Properties of Two Terpyridine-Based Hybrid Zn/Cd Halides251D Cu( i )-based chiral organic–inorganic hybrid material with second harmonic generation and circular polarized luminescence10Amine-directed synthesis, valence state control, and optical properties of two new organic–inorganic tin chlorides7Crystal structure, optical characterization, conduction and relaxation mechanisms of a new hybrid compound (C 6 H 9 N 2 ) 2 [Sb 2 Cl 8 ]19Crystal structure, semiconducting and photoluminescence (PL) properties of hybrid tin perovskite-like materials: [Cl–(CH 2 ) 2 –NH 3 ] 2 SnCl 6 and [Cl–(CH 2 ) 2 –NH 3 ] 2 SnBr 5.65 Cl 0.359Eco-friendly lead-free halide double perovskites A 2 CuMCl 6 (A = K, Rb; M = Sb, Bi): stability, thermoelectric, and optoelectronic advancements through theoretical insights46Single crystal perovskite an emerging photocatalytic and storage material: Synthesis to applications via theoretical insight20Evaluation of Physical Properties of A2ScCuCl6 (A = K, Rb, and Cs) Double Perovskites via DFT Framework59Structural Evolution and Photoluminescence Quenching across the FASnI 3– x Br x ( x = 0–3) Perovskites29Crystal Structure and Spectroscopic Characterization of a New Hybrid Compound, (C12H17N2)2[CdBr4], for Energy Storage Applications21Halogen Content Tunes the Color Temperature of White Light and Afterglow in Zero-Dimensional Hybrid Indium Halides8Single crystal perovskites: Synthetic strategies, properties and applications in sensing, detectors, solar cells and energy storage devices32Single Crystal Sn-Based Halide Perovskites10Single‐Crystal Perovskite for Solar Cell Applications19Screening the Structural, Tuning Band Gaps, Optical and Thermal Properties of Inorganic A2AgRhF6 (A = Na, Rb) Double Perovskites Halide Using DFT Calculations25A-Site Cation Chemistry in Halide Perovskites123Visible emission from a zero-dimensional tin-based organic-inorganic metal halide for luminescent devices: Experimental and theoretical investigation8Investigation on the structural, optical, photoluminescence and electric properties of a semiconductor material [Br(CH 2 ) 2 N(CH 3 ) 3 ] 2 SnBr 61Ligand substitution in organic–inorganic hybrid zinc iodides for second-harmonic generation8Single-crystal perovskites for photovoltaic and high-energy detection applications32Three antimony-based organic–inorganic hybrid perovskites (1,4-3.2.2-H 2 dabcn)SbX 5 (X = Cl, Br, I) show progressively decreasing phase transition temperatures and bandgaps7Toward the Strongest Nonlinear Optical Response and Largest Birefringence in Solvent‐Free Organic–Inorganic Metal Halides by Hydrogen Bond Engineering39Synthesis, crystal structure and optoelectronic properties of [(CH 3 ) 3 S]SnBr 30Small Cations for Engineering 3D Hybrid Perovskites7Second harmonic generation and ferromagnetic resonance of BaTiO3–BiFeO3 films and nanorod arrays0Record Second‐Harmonic Generation in a Lead‐Free 2D Hybrid Halide Perovskite13Tin-based hybrid: from crystal engineering to sensitive Cd2+ detection in real water samples1From first principles to machine learning: accelerating the design and discovery of hybrid organic–inorganic perovskites0Halide perovskite single-crystal thin films: from materials growth to photovoltaic devices0Halogen-ion-driven polymorphs for high-performance nonlinear optical crystalline materials3Positional Isomerism Controls Polarity and Nonlinear Optical Properties in One‐Dimensional Hybrid Germanium Halides0A systematic investigation of the electronic, optical, and photovoltaic properties of Li2ScAuBr6 for solar cell applications using combined DFT and device simulation0Record Second-Harmonic Generation and Exceptional Optical Anisotropy in High-Symmetry 1D Polar Perovskites1

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  48. Discovery of Lead-Free Hybrid Organic/Inorganic Perovskites Using Metaheuristic-Driven DFT Calculations

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  49. Chiral halide perovskite crystals for optoelectronic applications

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  50. Synergistic Engineering of Natural Carnitine Molecules Allowing for Efficient and Stable Inverted Perovskite Solar Cells

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