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RESEARCH PAPER · Inorganic Chemistry · 2013

Crystal-Chemistry Guidelines for Noncentrosymmetric A 2 BO 4 Ruddlesden−Popper Oxides

Prasanna V. Balachandran, Danilo Puggioni, James M. Rondinelli

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Crystal-Chemistry Guidelines for Noncentrosymmetric A 2 BO 4 Ruddlesden−Popper OxidesOriginalSpontaneous epistaxis; theoretical consideration of etiologic factors and treatment.0Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Na R TiO 4 Family77Inductive crystal field control in layered metal oxides with correlated electrons14Polar Cation Ordering: A Route to Introducing >10% Bond Strain Into Layered Oxide Films22Editorial for the ACS Select Collection on Solid-State Chemistry1Ruddleson-Popper phase SnO(SnTiO3)n: Lead-free layered ferroelectric materials with large spontaneous polarization13Growth of Ca2MnO4 Ruddlesden-Popper structured thin films using combinatorial substrate epitaxy17Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments290Massive band gap variation in layered oxides through cation ordering41Persistent semi-metal-like nature of epitaxial perovskite CaIrO3 thin films20Anharmonic lattice interactions in improper ferroelectrics for multiferroic design72Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates28Materials Prediction via Classification Learning80Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths)34Design of noncentrosymmetric perovskites from centric and acentric basic building units39Informatics-Based Approaches for Accelerated Discovery of Functional Materials2Modular Structures0Investigations of metastable Ca2IrO4 epitaxial thin-films: systematic comparison with Sr2IrO4 and Ba2IrO416Electro- and thermal-catalysis by layered, first series Ruddlesden-Popper oxides40Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing a Polar Halide Perovskite for Photovoltaic Applications47Topological defects at octahedral tilting plethora in bi-layered perovskites57Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity26Informatics-Based Approaches for Accelerated Discovery of Functional Materials0Designing new ferroelectrics with a general strategy112Sc and Nb dopants in SrCoO3 modulate electronic and vacancy structures for improved water splitting and SOFC cathodes54Locked octahedral tilting in orthorhombic perovskites: At the boundary of the general rule predicting phase transitions15On the “alpha-phase” of Ca2−xSrxMnO4 and extending the chemistry of Sr7−yCayMn4O15 to y>13Learning from data to design functional materials without inversion symmetry95Polymorphism and Structural Distortions of Mixed-Metal Oxide Photocatalysts Constructed with α-U3O8 Types of Layers10Synthesis and μ-Raman scattering of Ruddlesden-Popper ceramics Sr3Ti2O7, SrLa2Al2O7 and Sr2LaAlTiO720Synthesis and characterization of the novel K2NiF4-type oxide Pr2Ni0.9Co0.1O4+δ23Tuning the dimensionality of layered Srn+1Tin−xNixO3n+1 perovskite structures for improved activity in syngas generation29Ferroelectric Sr 3 Zr 2 O 7 : Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms132Hybrid Improper Ferroelectricity in (Sr,Ca) 3 Sn 2 O 7 and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in n = 2 Ruddlesden–Popper Phases123How Can We Control the “Element-Blocks” in Transition Metal Oxide Crystals?1Negative thermal expansion in high pressure layered perovskite Ca 2 GeO 410High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features26Machine learning guided design of functional materials with targeted properties60A -site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates11Competing Polar and Antipolar Structures in the Ruddlesden–Popper Layered Perovskite Li2SrNb2O740Nickel Exsolution‐Driven Phase Transformation from an n=2 to an n=1 Ruddlesden‐Popper Manganite for Methane Steam Reforming Reaction in SOFC Conditions46Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order16Crossover between Mott and Efros-Shklovskii variable-range hopping in Sr2IrO4 epitaxial thin films by misfit strain and isovalent doping12Catalytic Steam Reforming of Natural Gas over a New Ni Exsolved Ruddlesden‐Popper Manganite in SOFC Anode Conditions16Learning with Large Databases0What Defines a Halide Perovskite?510The effect of Co-doping on dielectric properties and bandgap of zinc silicate nanowires16Data-Based Methods for Materials Design and Discovery: Basic Ideas and General Methods10Ruddlesden-Popper phase A2BO4 oxides: Recent studies on structure, electrical, dielectric, and optical properties128Nickel exsolution effect on the catalytic behavior of ruddlesden-popper manganites in sofc conditions using colombian natural gas0Methane steam reforming in water-deficient conditions on a new Ni-exsolved Ruddlesden-Popper manganite: Coke formation and H2S poisoning24Exploring the A2BX3 Family for New Functional Materials Using Crystallographic Database Mining and First-Principles Calculations5Hybrid improper antiferroelectricity—New insights for novel device concepts2On the stability of calcium and cadmium based Ruddlesden–Popper and double perovskite structures6Hybrid improper ferroelectricity in A-site cation ordered Li2La2Ti3O10 ceramic with triple-layer Ruddlesden–Popper structure13Iridium-containing water-oxidation catalysts in acidic electrolyte148Cooperative Nature of Ferroelectricity in Two-Dimensional Hybrid Organic–Inorganic Perovskites39Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr3Hf2O79Structural Diversity of Ordered Pyrochlores82Negative thermal expansion in the Ruddlesden-Popper calcium titanates18Studies on the structure, optical, ac conduction mechanism by OLPT model and impedance spectroscopy of La-doped Ba2SnO4 Ruddlesden Popper Oxide6Structural chemistry of layered lead halide perovskites containing single octahedral layers59Influence of La doping on structure, AC conductivity and impedance spectroscopy of Ba2SnO4 Ruddlesden Popper oxide32Local-electrostatics-induced oxygen octahedral distortion in perovskite oxides and insight into the structure of Ruddlesden–Popper phases57Review of experimental progress of hybrid improper ferroelectricity in layered perovskite oxides36La2CuO4 perovskite enhanced ethylene carbonate synthesis via tuning the acid-base cooperation1Nonferroelectric relaxor dielectric properties of pyrochlore phases4Antiperovskite Electrolytes for Solid-State Batteries288Interplay between Oxygen Octahedral Rotation and Deformation in the Acentric ARTiO4 Series toward Negative Thermal Expansion19Operando Direct Observation of Stable Water-Oxidation Intermediates on Ca2–xIrO4 Nanocrystals for Efficient Acidic Oxygen Evolution52Thermal Transport Properties of Phonons in Halide Perovskites40Strain effect on the ground-state structure of Sr2SnO4 Ruddlesden-Popper oxides4Emergence of Rashba-/Dresselhaus effects in Ruddlesden–Popper halide perovskites with octahedral rotations22Understanding structural distortions in hybrid layered perovskites with the n = 1 Ruddlesden–Popper structure22Confirmation of ferroelectricity, piezoelectricity, and crystal structure of the electronic dielectric TmFe2O410Role of cations in the photovoltaic performance optimization of ternary stannates, MSnO3 (M = Ca, Sr, and Ba) and N2SnO4 (N = Ca, Sr, Ba, and Zn)2Karlleuite Ca2MnO4 – a first mineral with the Ruddlesden-Popper type structure from Bellerberg volcano, Germany1Experimental Evidence of Piezoelectricity and Ferroelectricity in Electronic Dielectrics TmFe2O40Interplay between A-site and oxygen-vacancy ordering, and mixed electron/oxide-ion conductivity in n = 1 Ruddlesden–Popper perovskite Sr 2 Nd 2 Zn 2 O 77Recent Progress of Hybrid Improper Ferroelectrics with Ruddlesden-Popper Structure1Temperature evolution of crystal structure and magnetic glassy freezing in single layered Ruddlesden-Popper phase CaPrFe0.5Co0.5O40Design and Theory of Switchable Linear Magnetoelectricity by Ferroelectricity in Type-I Multiferroics6Decoratypes: An extensible crystal taxonomy for machine learning-guided materials discovery1Theoretical investigation of noncentrosymmetric Ruddlesden-Popper germanium perovskites Cs 2 Ge X 4 ( X = Cl , Br, and I) for second harmonic generation0Revival of Layered Ferroelectrics in Thin Films2Controlling the competition between polar and antipolar structures by rumpling in Ruddlesden–Popper layered nitride La3W2N70Engineering functional perovskite and pyrochlore complex oxide catalysts0Advances in engineering perovskite electrocatalysts for CO2 reduction from fundamental descriptors to product selectivity0

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  1. Spontaneous epistaxis; theoretical consideration of etiologic factors and treatment.

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    J B HOLLINGSWORTH

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  2. Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Na R TiO 4 Family

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  3. Inductive crystal field control in layered metal oxides with correlated electrons

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  4. Polar Cation Ordering: A Route to Introducing >10% Bond Strain Into Layered Oxide Films

    Advanced Functional Materials · 2014-09-05

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  5. Editorial for the ACS Select Collection on Solid-State Chemistry

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  6. Ruddleson-Popper phase SnO(SnTiO3)n: Lead-free layered ferroelectric materials with large spontaneous polarization

    Journal of Applied Physics · 2014-11-04

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  7. Growth of Ca2MnO4 Ruddlesden-Popper structured thin films using combinatorial substrate epitaxy

    Journal of Applied Physics · 2014-12-23

    Morgane Lacotte, Adrian David, Pravarthana Dhanapal, C. Grygiel, Gregory S. Rohrer, Paul A. Salvador, Matias Velazquez, René de Kloe, W. Prellier

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  8. Understanding ferroelectricity in layered perovskites: new ideas and insights from theory and experiments

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  9. Massive band gap variation in layered oxides through cation ordering

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  10. Persistent semi-metal-like nature of epitaxial perovskite CaIrO3 thin films

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  11. Anharmonic lattice interactions in improper ferroelectrics for multiferroic design

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  12. Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates

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  13. Materials Prediction via Classification Learning

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  14. Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, LiRTiO4 (R = Rare Earths)

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  15. Design of noncentrosymmetric perovskites from centric and acentric basic building units

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  16. Informatics-Based Approaches for Accelerated Discovery of Functional Materials

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  17. Modular Structures

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  18. Investigations of metastable Ca2IrO4 epitaxial thin-films: systematic comparison with Sr2IrO4 and Ba2IrO4

    Scientific Reports · 2016-05-19

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  19. Electro- and thermal-catalysis by layered, first series Ruddlesden-Popper oxides

    Catalysis Today · 2016-07-26

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  20. Interplay of Cation Ordering and Ferroelectricity in Perovskite Tin Iodides: Designing a Polar Halide Perovskite for Photovoltaic Applications

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  21. Topological defects at octahedral tilting plethora in bi-layered perovskites

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  22. Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity

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  23. Informatics-Based Approaches for Accelerated Discovery of Functional Materials

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  24. Designing new ferroelectrics with a general strategy

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  25. Sc and Nb dopants in SrCoO3 modulate electronic and vacancy structures for improved water splitting and SOFC cathodes

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  26. Locked octahedral tilting in orthorhombic perovskites: At the boundary of the general rule predicting phase transitions

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  27. On the “alpha-phase” of Ca2−xSrxMnO4 and extending the chemistry of Sr7−yCayMn4O15 to y>1

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  28. Learning from data to design functional materials without inversion symmetry

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  29. Polymorphism and Structural Distortions of Mixed-Metal Oxide Photocatalysts Constructed with α-U3O8 Types of Layers

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  30. Synthesis and μ-Raman scattering of Ruddlesden-Popper ceramics Sr3Ti2O7, SrLa2Al2O7 and Sr2LaAlTiO7

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  33. Ferroelectric Sr 3 Zr 2 O 7 : Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms

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  34. Hybrid Improper Ferroelectricity in (Sr,Ca) 3 Sn 2 O 7 and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in n = 2 Ruddlesden–Popper Phases

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  35. How Can We Control the “Element-Blocks” in Transition Metal Oxide Crystals?

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  36. Negative thermal expansion in high pressure layered perovskite Ca 2 GeO 4

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  37. High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features

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  38. Machine learning guided design of functional materials with targeted properties

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  39. A -site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates

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  40. Competing Polar and Antipolar Structures in the Ruddlesden–Popper Layered Perovskite Li2SrNb2O7

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  41. Nickel Exsolution‐Driven Phase Transformation from an n=2 to an n=1 Ruddlesden‐Popper Manganite for Methane Steam Reforming Reaction in SOFC Conditions

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  42. Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order

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  43. Crossover between Mott and Efros-Shklovskii variable-range hopping in Sr2IrO4 epitaxial thin films by misfit strain and isovalent doping

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  44. Catalytic Steam Reforming of Natural Gas over a New Ni Exsolved Ruddlesden‐Popper Manganite in SOFC Anode Conditions

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  45. Learning with Large Databases

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  46. What Defines a Halide Perovskite?

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  47. The effect of Co-doping on dielectric properties and bandgap of zinc silicate nanowires

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  48. Data-Based Methods for Materials Design and Discovery: Basic Ideas and General Methods

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  49. Ruddlesden-Popper phase A2BO4 oxides: Recent studies on structure, electrical, dielectric, and optical properties

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  50. Nickel exsolution effect on the catalytic behavior of ruddlesden-popper manganites in sofc conditions using colombian natural gas

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