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RESEARCH PAPER · Chemical Science · 2015

An extended Tolerance Factor approach for organic–inorganic perovskites

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An extended Tolerance Factor approach for organic–inorganic perovskitesOriginalAn A‐Site Mixed‐Ammonium Solid Solution Perovskite Series of [(NH2NH3)x(CH3NH3)1−x][Mn(HCOO)3] (x=1.00–0.67)114Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites282Computational materials design of crystalline solids148Cs + incorporation into CH 3 NH 3 PbI 3 perovskite: substitution limit and stability enhancement124Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites459Efficient perovskite solar cells by metal ion doping449On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system1170Structural phase transitions in perovskite compounds based on diatomic or multiatomic bridges159Nanowire Lasers of Formamidinium Lead Halide Perovskites and Their Stabilized Alloys with Improved Stability471Ligand-Stabilized Reduced-Dimensionality Perovskites1433Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design2905Predicting and Screening Dielectric Transitions in a Series of Hybrid Organic–Inorganic Double Perovskites via an Extended Tolerance Factor Approach112Effect of metal cation replacement on the electronic structure of metalorganic halide perovskites: Replacement of lead with alkaline-earth metals170Dicyanometallates as Model Extended Frameworks97Exceptional Morphology-Preserving Evolution of Formamidinium Lead Triiodide Perovskite Thin Films via Organic-Cation Displacement213Synthesis, structural and optical characterization of APbX3 (A=methylammonium, dimethylammonium, trimethylammonium; X=I, Br, Cl) hybrid organic-inorganic materials85Anisotropic and Ultralow Phonon Thermal Transport in Organic–Inorganic Hybrid Perovskites: Atomistic Insights into Solar Cell Thermal Management and Thermoelectric Energy Conversion Efficiency167Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites317Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6626Intriguing Optoelectronic Properties of Metal Halide Perovskites2017Perovskite energy funnels for efficient light-emitting diodes2324Direct calorimetric verification of thermodynamic instability of lead halide hybrid perovskites415Broad Wavelength Tunable Robust Lasing from Single-Crystal Nanowires of Cesium Lead Halide Perovskites (CsPbX 3 , X = Cl, Br, I)610Engineering of CH3NH3PbI3 Perovskite Crystals by Alloying Large Organic Cations for Enhanced Thermal Stability and Transport Properties174Exploring a Lead‐free Semiconducting Hybrid Ferroelectric with a Zero‐Dimensional Perovskite‐like Structure157Beyond methylammonium lead iodide: prospects for the emergent field of ns 2 containing solar absorbers433Computational Screening of All Stoichiometric Inorganic Materials177Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites233Thin‐Film Transformation of NH4PbI3 to CH3NH3PbI3 Perovskite: A Methylamine‐Induced Conversion–Healing Process89Perovskite Solar Cells: Progress and Advancements178The renaissance of hydrides as energy materials50817% efficient printable mesoscopic PIN metal oxide framework perovskite solar cells using cesium-containing triple cation perovskite152Enhancing perovskite solar cell performance and stability by doping barium in methylammonium lead halide111Pressure-induced dramatic changes in organic–inorganic halide perovskites116Roadmap and roadblocks for the band gap tunability of metal halide perovskites452Stable high efficiency two-dimensional perovskite solar cells via cesium doping677Towards enabling stable lead halide perovskite solar cells; interplay between structural, environmental, and thermal stability422Understanding the stability of mixed A-cation lead iodide perovskites123Chemically diverse and multifunctional hybrid organic–inorganic perovskites1272Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks151Dismantling the “Red Wall” of Colloidal Perovskites: Highly Luminescent Formamidinium and Formamidinium–Cesium Lead Iodide Nanocrystals534Progress on lead-free metal halide perovskites for photovoltaic applications: a review614High-Throughput Screening of Lead-Free Perovskite-like Materials for Optoelectronic Applications180Single crystals of caesium formamidinium lead halide perovskites: solution growth and gamma dosimetry205Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors98Perovskite solar cells - An overview of critical issues182Perovskite Chalcogenides with Optimal Bandgap and Desired Optical Absorption for Photovoltaic Devices215Lead-Free Mixed Tin and Germanium Perovskites for Photovoltaic Application314The Emergence of the Mixed Perovskites and Their Applications as Solar Cells146Progress on Perovskite Materials and Solar Cells with Mixed Cations and Halide Anions593Route to Stable Lead-Free Double Perovskites with the Electronic Structure of CH3NH3PbI3: A Case for Mixed-Cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6108Lead Halide Perovskite Nanocrystals in the Research Spotlight: Stability and Defect Tolerance1236Impact of Rubidium and Cesium Cations on the Moisture Stability of Multiple-Cation Mixed-Halide Perovskites205Advances and challenges to the commercialization of organic–inorganic halide perovskite solar cell technology286Synthesis and Characterization of the Rare-Earth Hybrid Double Perovskites: (CH3NH3)2KGdCl6 and (CH3NH3)2KYCl691Thermodynamic Stability Trend of Cubic Perovskites377Recent theoretical progress in the development of perovskite photovoltaic materials86[Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand85Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3 NH 3 ) 2 CdX 4 (X = Cl, Br, I)110Influence of Radiation on the Properties and the Stability of Hybrid Perovskites222Metal halide perovskite tandem and multiple-junction photovoltaics555Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites154A review on morphology engineering for highly efficient and stable hybrid perovskite solar cells231First-principles insights into tin-based two-dimensional hybrid halide perovskites for photovoltaics89Metal replacement in perovskite solar cell materials: chemical bonding effects and optoelectronic properties95Near ultra-violet to mid-visible band gap tuning of mixed cation Rb x Cs 1−x PbX 3 (X = Cl or Br) perovskite nanoparticles111Structural effects on optoelectronic properties of halide perovskites168Tolerance factors of hybrid organic–inorganic perovskites: recent improvements and current state of research108Predicted Lead-Free Perovskites for Solar Cells151Halide Perovskites for Applications beyond Photovoltaics204Thermodynamic and Kinetic Effects in the Crystallization of Metal–Organic Frameworks173Electrons, Excitons, and Phonons in Two-Dimensional Hybrid Perovskites: Connecting Structural, Optical, and Electronic Properties397Alternative Perovskites for Photovoltaics138Computer-Aided Screening of Conjugated Polymers for Organic Solar Cell: Classification by Random Forest236Exploration of Near-Infrared-Emissive Colloidal Multinary Lead Halide Perovskite Nanocrystals Using an Automated Microfluidic Platform183Advancement on Lead-Free Organic-Inorganic Halide Perovskite Solar Cells: A Review154Organic–inorganic metal halide hybrids beyond perovskites158Accelerated discovery of stable lead-free hybrid organic-inorganic perovskites via machine learning722Perovskite Quantum Dot Photovoltaic Materials beyond the Reach of Thin Films: Full-Range Tuning of A-Site Cation Composition264Rotational Cation Dynamics in Metal Halide Perovskites: Effect on Phonons and Material Properties96Robust Tin‐Based Perovskite Solar Cells with Hybrid Organic Cations to Attain Efficiency Approaching 10%512An overview on enhancing the stability of lead halide perovskite quantum dots and their applications in phosphor-converted LEDs1206Chemical stability and instability of inorganic halide perovskites784Halide perovskites for resistive random-access memories157Mixed-metal metal–organic frameworks741Stability progress of perovskite solar cells dependent on the crystalline structure: From 3D ABX 3 to 2D Ruddlesden–Popper perovskite absorbers140Tailoring the film morphology and interface band offset of caesium bismuth iodide-based Pb-free perovskite solar cells108Advances in modelling and simulation of halide perovskites for solar cell applications93Cation influence on carrier dynamics in perovskite solar cells109Phase-Stable Red-Emitting CsPbI3 Nanocrystals: Successes and Challenges170Progress of Lead‐Free Halide Double Perovskites558Recent progress toward perovskite light-emitting diodes with enhanced spectral and operational stability122Hybrid organic-inorganic perovskites: Polar properties and applications129First-Principles Study on Structural, Electronic, and Optical Properties of Inorganic Ge-Based Halide Perovskites176Mechanical properties of hybrid organic-inorganic perovskites126Wide-bandgap, low-bandgap, and tandem perovskite solar cells137Recent progress in fundamental understanding of halide perovskite semiconductors139Potential Substitutes for Replacement of Lead in Perovskite Solar Cells: A Review229A Short Review on Interface Engineering of Perovskite Solar Cells: A Self‐Assembled Monolayer and Its Roles111The Role of Goldschmidt’s Tolerance Factor in the Formation of A2BX6 Double Halide Perovskites and its Optimal Range405Relationship between Lattice Strain and Efficiency for Sn-Perovskite Solar Cells145Metal halide perovskite nanocrystals and their applications in optoelectronic devices106Global discovery of stable and non-toxic hybrid organic-inorganic perovskites for photovoltaic systems by combining machine learning method with first principle calculations99Tolerance factor and phase stability of the garnet structure139A Review on Reducing Grain Boundaries and Morphological Improvement of Perovskite Solar Cells from Methodology and Material‐Based Perspectives93Making by Grinding: Mechanochemistry Boosts the Development of Halide Perovskites and Other Multinary Metal Halides149Lead‐Free Double Perovskites for Perovskite Solar Cells290Two-Dimensional Organic–Inorganic Hybrid Rare-Earth Double Perovskite Ferroelectrics278Exploiting Ionic Radii for Rational Design of Halide Perovskites128Extending Carrier Lifetimes in Lead Halide Perovskites with Alkali Metals by Passivating and Eliminating Halide Interstitial Defects116Crystal structures of perovskite halide compounds used for solar cells126Doping and ion substitution in colloidal metal halide perovskite nanocrystals482Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites105The Doping Mechanism of Halide Perovskite Unveiled by Alkaline Earth Metals194Facile syntheses of cerium-based CeMO3 (M = Co, Ni, Cu) perovskite nanomaterials for high-performance supercapacitor electrodes94Perovskite-related ReO3-type structures120Approaches for thermodynamically stabilized CsPbI3 solar cells134A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric150Organic Cation Alloying on Intralayer A and Interlayer A’ sites in 2D Hybrid Dion–Jacobson Lead Bromide Perovskites (A’)(A)Pb 2 Br 787Lead-free tin-halide perovskite solar cells with 13% efficiency501Advancing Tin Halide Perovskites: Strategies toward the ASnX3 Paradigm for Efficient and Durable Optoelectronics84Understanding the interplay of stability and efficiency in A-site engineered lead halide perovskites94Understanding the Instability of the Halide Perovskite CsPbI 3 through Temperature‐Dependent Structural Analysis190Highly Efficient Blue‐Emitting CsPbBr 3 Perovskite Nanocrystals through Neodymium Doping197Doping in inorganic perovskite for photovoltaic application96Solid-State NMR and NQR Spectroscopy of Lead-Halide Perovskite Materials140Methylphosphonium Tin Bromide: A 3D Perovskite Molecular Ferroelectric Semiconductor116Tin-Based Defects and Passivation Strategies in Tin-Related Perovskite Solar Cells258Applications of Self‐Assembled Monolayers for Perovskite Solar Cells Interface Engineering to Address Efficiency and Stability295Perovskite indoor photovoltaics: opportunity and challenges137Lead-free halide double perovskites: Toward stable and sustainable optoelectronic devices150Energy-Funneling Process in Quasi-2D Perovskite Light-Emitting Diodes110Structural Stability of Formamidinium- and Cesium-Based Halide Perovskites137Linked Nickel Oxide/Perovskite Interface Passivation for High‐Performance Textured Monolithic Tandem Solar Cells155Tin Halide Perovskites: From Fundamental Properties to Solar Cells333Metal halide perovskite quantum dots for amphiprotic bio-imaging85Discovery of Lead‐Free Perovskites for High‐Performance Solar Cells via Machine Learning: Ultrabroadband Absorption, Low Radiative Combination, and Enhanced Thermal Conductivities83Heterogeneous advanced oxidation processes over stoichiometric ABO3 perovskite nanostructures90Tolerance Factor for Stabilizing 3D Hybrid Halide Perovskitoids Using Linear Diammonium Cations98Approaching high-performance light-emitting devices upon perovskite quantum dots: Advances and prospects122Theoretical investigation of physical properties of Sr 2 XNbO 6 (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications94Recent Progress in Mixed A‐Site Cation Halide Perovskite Thin‐Films and Nanocrystals for Solar Cells and Light‐Emitting Diodes160Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation122Sn‐Based Perovskite Halides for Electronic Devices99Synergy of 3D and 2D Perovskites for Durable, Efficient Solar Cells and Beyond249Wide-bandgap all-inorganic lead-free perovskites for ultraviolet photodetectors94Lead‐Free Halide Perovskite Materials and Optoelectronic Devices: Progress and Prospective326Beyond lead halide perovskites: Crystal structure, bandgaps, photovoltaic properties and future stance of lead-free halide double perovskites87Two-dimensional perovskite templates for durable, efficient formamidinium perovskite solar cells203Advanced Materials for Energy Harvesting and Soft Robotics: Emerging Frontiers to Enhance Piezoelectric Performance and Functionality107

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