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RESEARCH PAPER · Journal of the American Chemical Society · 2022

Structural Descriptors to Correlate Pb Ion Displacement and Broadband Emission in 2D Halide Perovskites

Xiang‐Bin Han, Chang‐Qing Jing, Hui-Yuan Zu, Wen Zhang

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Structural Descriptors to Correlate Pb Ion Displacement and Broadband Emission in 2D Halide PerovskitesOriginalDesign, synthesis, and characterization of a new hybrid organic–inorganic perovskite with a high- T c dielectric transition9Broadband emission originating from the stereochemical expression of 6s 2 lone pairs in two-dimensional lead bromide perovskites11Broadband yellow and white emission from large octahedral tilting in (110)-oriented layered perovskites: imidazolium-methylhydrazinium lead halides24Spacer-Dependent and Pressure-Tuned Structures and Optoelectronic Properties of 2D Hybrid Halide Perovskites21Large Cation Engineering in Organic Antimony Halides for Low‐Loss Active Waveguide44Correlating Photophysical Properties with Stereochemical Expression of 6s 2 Lone Pairs in Two‐dimensional Lead Halide Perovskites38Correlating Photophysical Properties with Stereochemical Expression of 6s2 Lone Pairs in Two‐dimensional Lead Halide Perovskites1One-Dimensional Organic–Inorganic Lead Bromide Hybrids with Excitation-Dependent White-Light Emission Templated by Pyridinium Derivatives12Structural Diversity and Tunable Ferroelectricity in a Family of Hybrid Perovskites: AM(NO3)39High-Temperature Ferroelasticity and Photoluminescence in a 2D Monolayer Perovskite Compound: (C 5 NH 8 Br) 2 PbBr 414Quartz‐Like Structure, Optical Activity, and High Stability in the First Chiral Cation‐Coordinated Perovskite Semiconductor11Precise Design of Molecular Ferroelectrics with High T C and Tunable Band Gap by Molecular Modification28Establishing a Relationship between the Bandgap and the Structure in 2D Lead Halide Perovskite Semiconductors24Excellent Switchable Properties, Broad-Band Emission, Ferroelectricity, and High Tc in a Two-Dimensional Hybrid Perovskite: (4,4-DCA)2PbBr4 Exploited by H/F Substitution17Introducing a Structural Phase Transition in a 1D Perovskite via Cation’s Terminal Group Lengthening5Spatially Correlated Chirality in Chiral Two-Dimensional Perovskites Revealed by Second-Harmonic-Generation Circular Dichroism Microscopy56Chiral Substitution on Spaced Cations Lead to Improved Properties and Reversible Phase Transition, Broadband Emission in Parent Compound (3APr)PbBr45A Novel Hybrid Multifunctional Compound: (CMQ)BiCl 5 Showing Enhancement in Physical Properties by Halogen Substitution3Introducing Ferroelasticity into 1D Hybrid Lead Halide Semiconductor by Halogen Substitution Strategy38Origin of Broad Emission Induced by Rigid Aromatic Ditopic Cations in Low-Dimensional Metal Halide Perovskites22High Layer Number (n = 1–6) 2D Ruddlesden–Popper Lead Bromide Perovskites: Nanosheets, Crystal Structure, and Optoelectronic Properties26Dimension-Dependent Phase Transitions, Ferroelasticity, and Photoluminescence in Hybrid Organic–Inorganic Materials20Methoxy‐Based Passivator 4‐Methoxyphenethylammonium Iodide as Multifunctional Passivator for High‐Efficiency 3D/2D Flexible Perovskite Solar Cells over 23%10Correlated Self-Trapped Excitons and Free Excitons with Intermediate Exciton–Phonon Coupling in 2D Mixed-Halide Perovskites24Dehydration Induced a Structural Transformation into a One-Dimensional Hybrid Perovskite with Second Harmonic Generation and Dual Dielectric Switching15Amphoteric Ion Bridged Buried Interface for Efficient and Stable Inverted Perovskite Solar Cells119Probing Cation Displacements in Antiferroelectrics: A Joint NMR and TEM Approach3Halogen Substitution Regulates High Temperature Dielectric Switch in Lead‐Free Chiral Hybrid Perovskites13Edge states in 2D A2BX4 lead halide perovskites enabled by local structural reorganization0Tuning Structure and Excitonic Properties of 2D Ruddlesden–Popper Germanium, Tin, and Lead Iodide Perovskites via Interplay between Cations60Photoluminescence Switching and Non-Volatile Memory in Hybrid Metal-Halide Phase-Change Materials32Abnormal spectral broadening of ordered-structure near-infrared phosphor La 2 CaHfO 6 :Cr 3+15Pressure enables high-standard white light emission and significant emission enhancement in a 2D halide perovskite21Efficient Deep‐Blue Light‐Emitting 2D (100)‐Oriented Perovskites and Spectral Broadening by Exciton Self‐Trapping for White‐light Emissions5Full-Spectrum White-Light Emission from Triple Self-Trapped Excitons in Hybrid Mixed-Metal Halides10Surface repair of wide-bandgap perovskites for high-performance all-perovskite tandem solar cells29Self-Trapped Exciton Emission Enhancement in 3D Cationic Lead Halide Hybrids Via Phase Transition Engineering6Broad-Band Emission Switch in Room Temperature Stable Hybrid Perovskite Polymorphs1Solvent-Templated Methylammonium-Based Ruddlesden–Popper Perovskites with Short Interlayer Distances16Transient Photoinduced Pb 2+ Disproportionation for Exciton Self-Trapping and Broadband Emission in Low-Dimensional Lead Halide Perovskites48Luminescent metal-halide perovskites: fundamentals, synthesis, and light-emitting devices20(Benzimidazolium)2GeI4: A layered two-dimensional perovskite with dielectric switching and broadband near-infrared photoluminescence14Exciton engineering of 2D Ruddlesden–Popper perovskites by synergistically tuning the intra and interlayer structures113Room-Temperature Ferroelectric Epitaxial Nanowire Arrays with Photoluminescence11Structurally Flexible 2D Spacer for Suppressing the Electron–Phonon Coupling Induced Non-Radiative Decay in Perovskite Solar Cells37Regulating the Stereoisomerism of Diammonium Cations to Construct Polar Dion-Jacobson Hybrid Perovskites for Self-Powered X-ray Detection8Photoluminescence and scintillation characteristics of two-dimensional organic–inorganic perovskite-type compounds with an ether diamine4Negative Thermal Quenching and Self-Trapped Exciton Emission in (R/S-C3H10ON)MnCl323Integrated Multi‐Channel Responsive Switches in a Room‐Temperature Crystal Actuator14High-Entropy Design for 2D Halide Perovskite48Building New Structural Distortion Descriptors through Pressure Engineering toward Enhanced Violet Emission in 2D Hybrid Perovskite16Coupled Kite-to-Square Distortion Transition and Physical Properties in 2D Lead Halide Perovskite11Unraveling the Role of Structural Topology on Chirality Transfer and Chiroptical Properties in Chiral Germanium Iodides31Structural Changes and Differences in Intrinsic Photoluminescence of Four Cationic Two-Dimensional Lead Halide Frameworks Modulated by Synthesis Temperature2Unveiling Chirality Transfer between Chiral Centers and Metal Halides in Chiral Organic–Inorganic Hybrid Metal Halides25Robust excitonic light emission in 2D tin halide perovskites by weak excited state polaronic effect47A Melt-Processable Metal Halide Perovskite Ferroelectric5Simultaneous achieving color‐tuning long persistent luminescence and phosphorescent quantum yield of 81.05% in 2D organic metal halide perovskite17Regulating Second‐Harmonic Generation in 2D Chiral Perovskites Through Achiral Organic Spacer Cation Alloying Strategy15A 9R-like 2D hybrid metal halide with remarkably low melting temperature7Releasing trapped excitons in 2D perovskites via pressure annealing: a cooperative interplay between lattice strain and the electronic structure8Alloying strategy enables record-low melting temperature in 2D metal halide perovskites2Blue emission in a fluorinated 2D (C 8 H 11 FN) 2 PbBr 4 perovskite with 11.17% photoluminescence quantum yield0Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations3Local symmetry-breaking induces robust circularly polarized luminescence in achiral Dion-Jacobson tin-based perovskites13Theoretical insights into spacer molecule design to tune stability, dielectric, and exciton properties in 2D perovskites10Unveiling the Racemization in Ferroelectrics with Coupled Ferroelectricity and Optical Activity2Chiral Methylbenzylpyridinium-Based Organic–Inorganic Lead Halides for Water-Resistant Photoluminescence Materials8Tetraiodide-Dianion-Bridged 3D Perovskite with Enhanced Conductivity via Interlayer Iodine Integration1Octahedral units in halide perovskites101Multi-color long persistent luminescence in metal-organic frameworks regulated by dual channels of distorted second building units and organic ligand and applied in printing, message encryption and writing8Chiral Zero‐Dimensional Hybrid Antimony Chloride with Circularly Polarized Luminescence and Solvent‐Induced Property Regulation6Pathways, Probes, and Puzzles of Broadband Luminescence in “Perovskite-Inspired” Materials9Defect Passivation and Stress Regulation via Bidentate Anchoring of Lewis Base for High‐Efficiency CsPbI 3 Solar Cells12Two-photon excited spin excitonic properties in two-dimensional chiral perovskite films1Solution growth of CsPbBrxI3-x bulk crystals and their optical and X-ray detection properties2Tuning Interlayer Couplings and Stabilizing 2D Perovskite Lattices through Intercalation Chemistry19Structure–Emission Property Relationship of Bilayer 2D Hybrid Perovskites17Dynamic Exciton Polarons Enabling Dual-Mode White-Light Emission with Tunable Color Temperatures in 2D Hybrid Lead Bromides8Mixed-cation engineering of hybrid antimony chlorides for band gap-directing deep-blue emission2Optimization of Exciton Recombination toward High-Efficient Emission in Tin/Yttrium-Based Hybrid Perovskite0Edge States in 2D A2PbBr4 Hybrid Perovskites Enabled by Local Structural Reorganization16Controllable Photoluminescence Modulation of 2D Hybrid Perovskite Single-Phase Derivatives via Inorganic Skeleton Thickness Regulation5Ultra‐Sensitive Optoelectronics Enabled by Atomically Tailored Interfaces Engineering for Advanced Perceptual Imaging9Unveiling Low-Energy Emission in 2D Organic–Inorganic Perovskites: A Photorecycling and Electron–Phonon Coupling Study12Dynamic Collision Fingerprints (DCF): Introducing a New Descriptor Linking Lattice Interactions to 2D Structural Data Signatures3Record Second‐Harmonic Generation in a Lead‐Free 2D Hybrid Halide Perovskite13Synergistic enhancement of ferroelectric–piezoelectric–photoelectric triad in Pb(Zr0.4, Ti0.6)O3 thin films through self-assembled monolayers0Cage Balancing Enhances Optoelectronic and Lasing Performance in Stable Quasi-2D Tin Iodide Perovskites11A Top-Down Polymer Collaborative Manufacturing of Perovskite Single Crystal Film Patterns7Regulation of exciton behaviour in 2D perovskites via halogen doping0Machine learning-driven ligand engineering decodes and controls structural distortions in 2D perovskites5Structural Phase Transition-Governed Luminescence Switching in Jahn–Teller-Distorted Mn(II) Crystals2Stable 3D lead bromide hybrid ferroelectric semiconductor enabled by halogen-substitution-induced confinement effect2Material Modification Strategies for High-Performance Perovskite Optoelectronics: From Solar Cells to Photocatalysis4Pseudohalide BF 4 − doping in metal halide perovskites: a first-principles perspective1Perspective on Understanding the Origin of Trapped Exciton in Lead‐Halide Perovskite with Broadband Emission2Atomic‐Scale Structural Distortion Drives Exciton Localization for Near‐Unity Photoluminescence in Copper–Iodide Clusters0Atomic‐Scale Structural Distortion Drives Exciton Localization for Near‐Unity Photoluminescence in Copper–Iodide Clusters6Direct preparation of PEA 2 PbBr 4 nanoplates with electron-irradiation-induced optical evolution0GAN-augmented machine learning enables accurate band gap prediction for 2D lead iodide perovskites with limited data0Hydrated zirconium coordination enhanced the photoluminescence performance in 0D cadmium manganese based perovskites0Sb 3+ -doped indium-based halides with near-unity photoluminescence quantum yield and circularly olarized luminescence0Sn-doping induced lattice distortion and deep-red self-trapped exciton emission in 2D lead halide perovskites1Regulating Pb off-centering distortion for white-light emission in 2D halide perovskites8A practical inverse design approach for high-entropy catalysts using generative AI9Moderate structural distortion in 2D perovskite layers enables bifunctional circularly polarized light response0Pressure-induced enhancement of deep-blue photoluminescence in two-dimensional hybrid organic-inorganic perovskites0One-Dimensional Sb(III) Halides with Orange Emission and White-Light Conversion Capability1Bright Self‐Trapped Exciton Emission of CsPbBr 3 @CsPb 2 Br 5 Nanostructures Created by Dissolution and Recrystallization of Hydrophilic Cu:CsPbBr 31Interlayer Decoupling Growth for Atomically Thin Hybrid Perovskite Ferroelectrics with Giant Rashba Splitting Energy0Mutual Amplification of Chirality Driven by Interfacial Interactions in In Situ Synthesized Perovskite/Polymer Composites0Radiation‐Stored Double Perovskites Framed by Local Symmetry Disruption for Thermal‐Functional X‐Ray Tomographic Imaging0Synergistic Effect of Chirality and Symmetry Reduction Enables Metal‐Free Perovskite Single Crystal With Stable Self‐Driven X‐ray Detection0Synergistic Effect of Chirality and Symmetry Reduction Enables Metal‐Free Perovskite Single Crystal With Stable Self‐Driven X‐ray Detection0Excitonic Structure and Dynamics in Two-Dimensional Halide Perovskites0Stable inorganic perovskite solar cells with 20.96% efficiency via sulfonamide-based π-conjugated molecule surface passivation0Elucidating the Impact of Bi 3+ Lone Pair on the Optical and Electronic Properties of Phosphonium‐Based Halide Semiconductors0Energy Funneling between Distinct Exciton States in Monophase 2D Lead Halide Hybrid Perovskites Induced by Lattice Distortion0Rigid Symmetric Aromatic Dithiourea Passivation with Strong Intrinsic Dipole for 21.72%‐Efficient SnO 2 ‐Based Inorganic Perovskite Solar Cells0Narrowband Emitting Tin Dion–Jacobson Perovskites through Systematic Spacer Cation Design to Suppress Metal Lone-Pair Anisotropy0

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  40. Transient Photoinduced Pb 2+ Disproportionation for Exciton Self-Trapping and Broadband Emission in Low-Dimensional Lead Halide Perovskites

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  42. (Benzimidazolium)2GeI4: A layered two-dimensional perovskite with dielectric switching and broadband near-infrared photoluminescence

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