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RESEARCH PAPER · Journal of the American Chemical Society · 2018

Chemical Pressure-Induced Anion Order–Disorder Transition in LnHO Enabled by Hydride Size Flexibility

Hiroki Yamashita, Thibault Broux, Yoji Kobayashi, Fumitaka Takeiri, Hiroki Ubukata, Tong Zhu, Michael A. Hayward, Kotaro Fujii, Masatomo Yashima, Kazuki Shitara, Akihide Kuwabara, Taito Murakami, Hiroshi Kageyama

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Chemical Pressure-Induced Anion Order–Disorder Transition in LnHO Enabled by Hydride Size FlexibilityOriginalMetal‐Dependent Support Effects of Oxyhydride‐Supported Ru, Fe, Co Catalysts for Ammonia Synthesis202Ba2ScHO3: H– Conductive Layered Oxyhydride with H– Site Selectivity58Oxyhydride Nature of Rare-Earth-Based Photochromic Thin Films78Enhanced ferromagnetic transition temperature in NdOxDy epitaxial thin films6The rare earth metal hydride tellurides REHTe (RE=Y, La–Nd, Gd–Er)5High-Pressure Polymorphs of LaHO with Anion Coordination Reversal27Exploring Structures and Properties through Anion Chemistry36Hydride Conductivity in an Anion-Ordered Fluorite Structure LnHO with an Enlarged Bottleneck73YHO, an Air-Stable Ionic Hydride37Kinetics of ammonia synthesis over Ru/Pr2O350Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles8First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst37The effect of cation size on hydride-ion conduction in LnSrLiH 2 O 2 (Ln = La, Pr, Nd, Sm, Gd) oxyhydrides28Pressure-induced phase transitions in DL-glutamic acid monohydrate crystal6Microstructure profiling and photoluminescence characteristics of V(1-x)2 Ni3xO5-δ compound systems16Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films33Preferential Orientation of Photochromic Gadolinium Oxyhydride Films12Recent Advances in Heterogeneous Catalysis for Ammonia Synthesis177One Structure, Two ElementsLuGe2 Superconductor vs Ordinary Metallic Conductor LuSn2. A Case Study on How Site-Selective Germanium for Tin Atom Substitution Leads to Modulating of the Charge Distribution8Correlating chemical composition and optical properties of photochromic rare-earth oxyhydrides using ion beam analysis29Ionic conduction mechanism in Ca-doped lanthanum oxychloride16Ion diffusion mechanisms derived from atomic simulations in fast ion conductors0Ruthenium Catalysts Promoted by Lanthanide Oxyhydrides with High Hydride‐Ion Mobility for Low‐Temperature Ammonia Synthesis79Formation of PbCl 2 -type AHF (A = Ca, Sr, Ba) with partial anion order at high pressure8Positive thermal expansion facilitates the formation of argentophilic forces following an order–disorder phase transition1Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors105Advances in Materials and Applications of Inorganic Electrides279Stabilization Factor of Anion-Excess Fluorite Phase for Fast Anion Conduction19HoHO: A Paramagnetic Air-Resistant Ionic Hydride with Ordered Anions21Ruthenium Complex Hydride Catalysts as a Platform for Ammonia Synthesis0Emerging Materials and Methods toward Ammonia‐Based Energy Storage and Conversion443Environmental dependence of the photochromic effect of oxygen-containing rare-earth metal hydrides26Interplay of Alkali, Transition Metals, Nitrogen, and Hydrogen in Ammonia Synthesis and Decomposition Reactions98Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO12Alkali-Rich Antiperovskite M3FCh (M = Li, Na; Ch = S, Se, Te): The Role of Anions in Phase Stability and Ionic Transport40Review on catalytic roles of rare earth elements in ammonia synthesis: Development and perspective42Crystalline Support0Influence of Crystal Structure, Encapsulation, and Annealing on Photochromism in Nd Oxyhydride Thin Films17Hydrogenation Reaction Pathways and Crystal Structures of La2H2Se, La2H3Se and La2H4Se5Energy, metastability, and optical properties of anion-disordered R O x H 3 − 2 x ( R = Y , La ) oxyhydrides: A computational study15Hydrides mediate nitrogen fixation31Challenges and Opportunities of Ru-Based Catalysts toward the Synthesis and Utilization of Ammonia262Dinitrogen fixation mediated by lanthanum hydride17Partial cation disorder in Li2MnO3 obtained by high-pressure synthesis2Pressure-induced structural phase transition in BaHCl3The microkinetics of ammonia synthesis: the effect of surface coverage on apparent activation energy and reaction order3Trihalide Mixing by Size-Flexible H– Ions in Layered Ba2H3 (Cl, Br, I)11Na3H(ZnH4) Antiperovskite: A Large Octahedral Distortion with an Off-Centering Hydride Anion Coupled to Molecular Hydride16Mixed anion materials0High pressure studies of transition metal oxides5Insight into rare-earth-incorporated catalysts: The chance for a more efficient ammonia synthesis36Synthesis and Crystal‐Structure Analysis of the K2NiF4‐Type Hydride Oxides LiLnEuH2−xO2 (Ln=La, Ce, Pr, Nd, Sm) and LiEu2H3O by Neutron and X‐Ray Diffraction1Facile formation of barium titanium oxyhydride on a titanium hydride surface as an ammonia synthesis catalyst9Locating anionic hydrogen in Ba3(Yb,Lu)2O5H2: A combined approach of X-ray diffraction, crystal chemistry, and DFT calculations2Structural Transformation in LnHS (Ln = La, Nd, Gd, and Er) with Coordination Change between an S-Centered Octahedron and a Trigonal Prism4Hidden chemical order in disordered Ba7Nb4MoO20 revealed by resonant X-ray diffraction and solid-state NMR32Photochromic samarium oxyhydride thin films9Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr2LiHOCl28Splitting of Hydrogen Atoms into Proton–Electron Pairs at BaO–Ru Interfaces for Promoting Ammonia Synthesis under Mild Conditions86High-pressure phase behavior of LnHO (Ln = lanthanides): Entropy stabilization of the fluorite structure3Hypes and hopes on the materials development strategies to produce ammonia at mild conditions17Ruthenium Complex Hydride Catalyst as a Platform for Ammonia Synthesis: The Effect of Alkali or Alkaline Earth Elements14Exploring Multi-Anion Chemistry in Yttrium Oxyhydrides: Solid-State NMR Studies and DFT Calculations21Synthesis and Crystal Structure of the Europium(II) Hydride Oxide Iodide Eu5H2O2I4 Showing Blue-Green Luminescence0Light-driven nitrogen fixation routes for green ammonia production159Beyond Hydrogen Storage: Metal Hydrides for Catalysis69Chemical state and atomic structure in stoichiovariants photochromic oxidized yttrium hydride thin films10Bioinspired Catalysis with Biomimetic Clusters0Electron transfer from yttrium hydride to Mo-carbonitride boosts low-temperature ammonia synthesis5Intersite Charge Transfer through Eu 4f Band Engineering in Eu1–xSrxVO2H Oxyhydride Films1Photochromism in rare earth oxyhydrides for large-area transmittance control20Effects of H vacancies on photochromic properties of oxygen-containing yttrium hydride6Selective Hydride Interstitials Induced in a High-Entropy Lanthanide Oxyhydride1Effect of support morphology on the ammonia synthesis activity of Ru/CeO2-based catalysts10Progress of metal hydrides, amides and imides for ammonia synthesis and decomposition6Structural stability and polymorphic transitions in LnSI (Ln = lanthanides)2Tuning the Electronic Structure of BaAl2O4–xAy with Anion Substitution for Cobalt-Loaded Ammonia Synthesis Catalysts4Exploration of Lithium-Ion Conductors Based on Local Coordination Environments Using Crystallographic Site Fingerprints7Towards green chemistry from transformation of carbon dioxide and dinitrogen to value-added chemicals and fuels33Ammonia synthesis and decomposition mediated by hydrides, imides, and amides1Hydride ionic conductors: Bridging ionic transport mechanisms and design strategies for sustainable energy systems1Hidden Occupational Order in Disordered Ba7Nb4MoO20 Revealed by a Combined Technique of Resonant X-ray Diffraction and Solid-State NMR0Kinetics of the photochromic effect in oxygen-containing yttrium hydrides2Hydride-Buffered Absence of Local Distortions in Mixed-Valent EuVO 2 H Films Revealed by X-ray Fluorescence Holography0Chemically Defined Ln 2 H 3– x N Nitride-Hydrides via High-Pressure Synthesis and Topochemical Hydrogen Intercalation0Anion Exchange Alters Photochromism in Bulk Yttrium Hydride Oxides2Anion Exchange Pathways in Half‐Heusler‐Type Holmium Hydride Oxide HoHO0Surface Coverage Controls the Apparent Activation Energy and Reaction Orders in Ru-Catalyzed Ammonia Synthesis: A Microkinetic Study0Resolving Redox Anion Exchange and Phase Widths in Yttrium Hydrides by In Situ Neutron Diffraction0

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  1. Metal‐Dependent Support Effects of Oxyhydride‐Supported Ru, Fe, Co Catalysts for Ammonia Synthesis

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  2. Ba2ScHO3: H– Conductive Layered Oxyhydride with H– Site Selectivity

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  3. Oxyhydride Nature of Rare-Earth-Based Photochromic Thin Films

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  4. Enhanced ferromagnetic transition temperature in NdOxDy epitaxial thin films

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  5. The rare earth metal hydride tellurides REHTe (RE=Y, La–Nd, Gd–Er)

    Zeitschrift für Naturforschung B · 2019-05-14

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  6. High-Pressure Polymorphs of LaHO with Anion Coordination Reversal

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  7. Exploring Structures and Properties through Anion Chemistry

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  8. Hydride Conductivity in an Anion-Ordered Fluorite Structure LnHO with an Enlarged Bottleneck

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  9. YHO, an Air-Stable Ionic Hydride

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  10. Kinetics of ammonia synthesis over Ru/Pr2O3

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  11. Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles

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  12. First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst

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  13. The effect of cation size on hydride-ion conduction in LnSrLiH 2 O 2 (Ln = La, Pr, Nd, Sm, Gd) oxyhydrides

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  15. Microstructure profiling and photoluminescence characteristics of V(1-x)2 Ni3xO5-δ compound systems

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  16. Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films

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  17. Preferential Orientation of Photochromic Gadolinium Oxyhydride Films

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  18. Recent Advances in Heterogeneous Catalysis for Ammonia Synthesis

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  19. One Structure, Two ElementsLuGe2 Superconductor vs Ordinary Metallic Conductor LuSn2. A Case Study on How Site-Selective Germanium for Tin Atom Substitution Leads to Modulating of the Charge Distribution

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  20. Correlating chemical composition and optical properties of photochromic rare-earth oxyhydrides using ion beam analysis

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  22. Ion diffusion mechanisms derived from atomic simulations in fast ion conductors

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  23. Ruthenium Catalysts Promoted by Lanthanide Oxyhydrides with High Hydride‐Ion Mobility for Low‐Temperature Ammonia Synthesis

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  30. Ruthenium Complex Hydride Catalysts as a Platform for Ammonia Synthesis

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  31. Emerging Materials and Methods toward Ammonia‐Based Energy Storage and Conversion

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  33. Interplay of Alkali, Transition Metals, Nitrogen, and Hydrogen in Ammonia Synthesis and Decomposition Reactions

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  39. Hydrogenation Reaction Pathways and Crystal Structures of La2H2Se, La2H3Se and La2H4Se

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  41. Hydrides mediate nitrogen fixation

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  44. Partial cation disorder in Li2MnO3 obtained by high-pressure synthesis

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  45. Pressure-induced structural phase transition in BaHCl

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  46. The microkinetics of ammonia synthesis: the effect of surface coverage on apparent activation energy and reaction order

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  47. Trihalide Mixing by Size-Flexible H– Ions in Layered Ba2H3 (Cl, Br, I)

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  49. Mixed anion materials

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  50. High pressure studies of transition metal oxides

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