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RESEARCH PAPER · Advanced Energy Materials · 2018

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

Ya Nan Tang, Yoji Kobayashi, Naoya Masuda, Yoshinori Uchida, Hiroki Okamoto, Toki Kageyama, Saburo Hosokawa, François Loyer, Kei Mitsuhara, Keisuke Yamanaka, Y. Tamenori, Cédric Tassel, Takafumi Yamamoto, Tsunehiro Tanaka, Hiroshi Kageyama

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Metal‐Dependent Support Effects of Oxyhydride‐Supported Ru, Fe, Co Catalysts for Ammonia SynthesisOriginalEfficient photocatalytic reactions of Cr( vi ) reduction and ciprofloxacin and RhB oxidation with Sn( ii )-doped BiOBr19Glycerol oxidation assisted electrocatalytic nitrogen reduction: ammonia and glyceraldehyde co-production on bimetallic RhCu ultrathin nanoflake nanoaggregates114Three-dimensional ordered macroporous Ru-substituted BaZrO 3 perovskites: active catalysts for ammonia synthesis under mild conditions3Recent progress in heterogeneous ammonia synthesis19High-Pressure Polymorphs of LaHO with Anion Coordination Reversal27Exploring Structures and Properties through Anion Chemistry36Low-Temperature Heterogeneous Catalytic Reaction by Surface Protonics40Hydride Conductivity in an Anion-Ordered Fluorite Structure LnHO with an Enlarged Bottleneck73Beyond the Thermal Equilibrium Limit of Ammonia Synthesis with Dual Temperature Zone Catalyst Powered by Solar Light179Influence of CeO2 supports prepared with different precipitants over Ru/CeO2 catalysts for ammonia synthesis39Recent Advanced Materials for Electrochemical and Photoelectrochemical Synthesis of Ammonia from Dinitrogen: One Step Closer to a Sustainable Energy Future191Low-Temperature Synthesis of Perovskite Oxynitride-Hydrides as Ammonia Synthesis Catalysts205Hole and Electron Doping of the 4d Transition‐Metal Oxyhydride LaSr3NiRuO4H412Hole and Electron Doping of the 4d Transition‐Metal Oxyhydride LaSr3NiRuO4H41Green chemistry on perovskite oxide catalysts0Transition 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 Catalyst37S-Doped three-dimensional graphene (S-3DG): a metal-free electrocatalyst for the electrochemical synthesis of ammonia under ambient conditions29Significantly enhanced electrocatalytic N 2 reduction to NH 3 by surface selenization with multiple functions20Surface Dynamics for Creating Highly Active Ru Sites for Ammonia Synthesis: Accumulation of a Low-Crystalline, Oxygen-Deficient Nanofraction83Towards anti-perovskite nitrides as potential nitrogen storage materials for chemical looping ammonia production: Reduction of Co3ZnN, Ni3ZnN, Co3InN and Ni3InN under hydrogen47The Power of Hydrides48Nature of Reactive Hydrogen for Ammonia Synthesis over a Ru/C12A7 Electride Catalyst120Effect of Calcination and Reduction Temperatures on the Catalytic Activity of Ru/La0.5Ce0.5O1.75 for Ammonia Synthesis under Mild Conditions24The Journey toward Low Temperature, Low Pressure Catalytic Nitrogen Fixation210Inhibited hydrogen poisoning for enhanced activity of promoters-Ru/Sr2Ta2O7 nanowires for ammonia synthesis47Stable Surface Terminations of a Perovskite Oxyhydride from First-Principles6Hydrogen in Nanocatalysis23Contribution of Nitrogen Vacancies to Ammonia Synthesis over Metal Nitride Catalysts255Recent Advances in Heterogeneous Catalysis for Ammonia Synthesis177Hydrogen Spillover to Oxygen Vacancy of TiO 2– x H y /Fe: Breaking the Scaling Relationship of Ammonia Synthesis192Vanadium Hydride as an Ammonia Synthesis Catalyst50Active and stable Fe-based catalyst, mechanism, and key role of alkali promoters in ammonia synthesis50Ion diffusion mechanisms derived from atomic simulations in fast ion conductors0Development and Recent Progress on Ammonia Synthesis Catalysts for Haber–Bosch Process653Ruthenium Catalysts Promoted by Lanthanide Oxyhydrides with High Hydride‐Ion Mobility for Low‐Temperature Ammonia Synthesis79Ternary Ruthenium Complex Hydrides for Ammonia Synthesis1Cation doped cerium oxynitride with anion vacancies for Fe-based catalyst with improved activity and oxygenate tolerance for efficient synthesis of ammonia59Direct synthesis of barium titanium oxyhydride for use as a hydrogen permeable electrode20In situ formed Co from a Co–Mg–O solid solution synergizing with LiH for efficient ammonia synthesis18The application and improvement of TiO 2 (titanate) based nanomaterials for the photoelectrochemical conversion of CO 2 and N 2 into useful products23Mo2C embedded on nitrogen-doped carbon toward electrocatalytic nitrogen reduction to ammonia under ambient conditions55Advances in Materials and Applications of Inorganic Electrides279Ruthenium Complex Hydride Catalysts as a Platform for Ammonia Synthesis0Emerging Materials and Methods toward Ammonia‐Based Energy Storage and Conversion443Interstitial-Electrons Composed Multiple-Fold Fermions and Insights on Catalytic Nature in Nanoporous Electride C12A7:e$^-$0Interplay of Alkali, Transition Metals, Nitrogen, and Hydrogen in Ammonia Synthesis and Decomposition Reactions98On the Structural Transformation of Ni/BaH2 During a N2-H2 Chemical Looping Process for Ammonia Synthesis: A Joint In Situ Inelastic Neutron Scattering and First-Principles Simulation Study22C2 Vacancy-Mediated N2 Activation over Ni-Loaded Rare-Earth Dicarbides for Ammonia Synthesis15Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO12Direct synthesis of barium titanium oxyhydride promising for electrode material with hydrogen permeability0Direct synthesis of barium titanium oxyhydride promising for electrode material with hydrogen permeability0Dissociative and Associative Concerted Mechanism for Ammonia Synthesis over Co-Based Catalyst130Methods for nitrogen activation by reduction and oxidation295Enhanced CO2 methanation activity over La2-xCexNiO4 perovskite-derived catalysts: Understanding the structure-performance relationships56Inorganic Nanocatalysts for Hydrogenation Reactions Contributable to a Sustainable Material Supply12The impact of alkali and alkaline earth metals on green ammonia synthesis82Barium chromium nitride-hydride for ammonia synthesis37Ternary ruthenium complex hydrides for ammonia synthesis via the associative mechanism186Facilitating green ammonia manufacture under milder conditions: what do heterogeneous catalyst formulations have to offer?94Ammonia synthesis on BaTiO 2.5 H 0.5 : computational insights into the role of hydrides6Highly active and stable Co (Co 3 O 4 )_Sm 2 O 3 nano-crystallites derived from Sm 2 Co 7 and SmCo 5 intermetallic compounds in NH 3 synthesis and CO 2 conversion4Ammonia as a carrier of renewable energy: Recent progress of ammonia synthesis by homogeneous catalysts, heterogeneous catalysts, and electrochemical method7Crystalline Support0Enhanced ammonia synthesis activity of Ru-supported cerium–lanthanum oxide induced by Ti substitution forming mesopores10Sub-nanometer Ru clusters on Sm 2 O 3 obtained from a room temperature ion adsorption method for ammonia synthesis6High-Pressure Synthesis of Transition-Metal Oxyhydrides with Double-Perovskite Structures6Synergizing Surface Hydride Species and Ru Clusters on Sm 2 O 3 for Efficient Ammonia Synthesis73Magic of hydrogen spillover: Understanding and application261Hydrides mediate nitrogen fixation31Challenges and Opportunities of Ru-Based Catalysts toward the Synthesis and Utilization of Ammonia262Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis126Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction81Formation of a Complex Active Center by Ba 2 RuH 6 for Nondissociative Dinitrogen Activation and Ammonia Formation29Facile MOF-derived one-pot synthetic approach toward Ru single atoms, nanoclusters, and nanoparticles dispersed on CeO2 supports for enhanced ammonia synthesis75Visible and NIR Light Assistance of the N2 Reduction to NH3 Catalyzed by Cs-promoted Ru Nanoparticles Supported on Strontium Titanate50The microkinetics of ammonia synthesis: the effect of surface coverage on apparent activation energy and reaction order3Enhanced ammonia synthesis activity of Ru/Ba5Ta4O15 catalyst by reduction of Ba5Ta4O15 with CaH210Ammonia Production Plants—A Review89Pd-modified LaNi5 nanoparticles for efficient hydrogen storage in a carbazole type liquid organic hydrogen carrier73Barium Indate–Zirconate Perovskite Oxyhydride with Enhanced Hydride Ion/Electron Mixed Conductivity25Mixed anion materials0Insight into rare-earth-incorporated catalysts: The chance for a more efficient ammonia synthesis36Recent advances in ammonia synthesis technologies: Toward future zero carbon emissions181The formation of a lithium–iridium complex hydride toward ammonia synthesis3Thermochemical activation of CO2 into syngas over ceria-supported niobium oxide catalyst: An integrated experimental-DFT study17Facile formation of barium titanium oxyhydride on a titanium hydride surface as an ammonia synthesis catalyst9Neutron Scattering (NS) Spectroscopy0In Situ Neutron Scattering Study of the Structure Dynamics of the Ru/Ca2N:e– Catalyst in Ammonia Synthesis11Role of Hydride Formation in Electrocatalysis for Sustainable Chemical Transformations24Ammonia Synthesis via an Associative Mechanism on Alkaline Earth Metal Sites of Ca3CrN3H13Pressure-Induced Anion Order–Disorder Transition in Layered Perovskite Sr2LiHOCl28Hypes and hopes on the materials development strategies to produce ammonia at mild conditions17Perspective on Intensification of Haber−Bosch to Enable Ammonia Production under Milder Conditions112Acetylene Semi-Hydrogenation on a Perovskite Oxyhydride Surface: Insights from First Principles and Microkinetic Modeling8Anionic Defects Enhanced Ammonia Synthesis Over Ru Catalyst Supported on Barium Niobate Reduced with CaH27Ruthenium 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 Calculations21Order–disorder and ionic conductivity in calcium nitride-hydride19Ammonia Decomposition over Water‐Durable Hexagonal BaTiO3−xNy‐Supported Ni Catalysts85Simulation Analysis for Design of H2/N2 Ratio of Feed Gas to Ammonia Synthesis Process Using Ru/CeLaTiOx Catalyst9Ammonia Synthesis on Ternary LaSi‐based Electrides: Tuning the Catalytic Mechanism by the Third Metal11Green ammonia to Hydrogen: Reduction and oxidation catalytic processes55High H– Conductivities along the ab-Planes of La2LiHO3 Epitaxial Thin Films8Catalytic conversion of isoelectronic CO and N2 molecules in the presence of hydrogen5BaCeO3 perovskite-incorporated Co catalyst for efficient NH3 synthesis under mild conditions18Multiple reaction pathway on alkaline earth imide supported catalysts for efficient ammonia synthesis50Catalytic Behavior of K‐doped Fe/MgO Catalysts for Ammonia Synthesis Under Mild Reaction Conditions18Enroute to the Carbon-Neutrality Goals via the Targeted Development of Ammonia as a Potential Nitrogen-Based Energy Carrier41Significant Roles of Surface Hydrides in Enhancing the Performance of Cu/BaTiO2.8H0.2 Catalyst for CO2 Hydrogenation to Methanol16Significant Roles of Surface Hydrides in Enhancing the Performance of Cu/BaTiO2.8H0.2 Catalyst for CO2 Hydrogenation to Methanol5A Conceptual Approach for the Design of New Catalysts for Ammonia Synthesis: A Metal—Support Interactions Review11Challenges and opportunities for the photo-(thermal) synthesis of ammonia49Electrochemical reduction of nitrate to ammonia using non-precious metal-based catalysts101Effects of low crystallinity cerium oxide on ammonia synthesis activity for cerium oxide supported ruthenium catalyst6Catalytic ammonia synthesis on HY-zeolite-supported angstrom-size molybdenum cluster10Exsolution of Fe, Co, and Ni supported catalysts from LaBO 3 (B = Fe, Co, Ni) perovskites for ammonia synthesis1Light-driven nitrogen fixation routes for green ammonia production159Revisiting group 4–7 transition metals for heterogeneous ammonia synthesis11Sulfur-regulated metal–support interaction boosting the hydrogen evolution performance of Ru clusters in seawater at industrial current densities12Recent progress of thermocatalytic ammonia synthesis via an associative mechanism15Beyond Hydrogen Storage: Metal Hydrides for Catalysis69The influence of hydrogen and oxygen vacancy concentrations on diffusion coefficients of oxide and hydride ions in reduced barium titanate oxyhydride using molecular dynamics simulation0Innovative Approaches to Sustainable Ammonia Synthesis under Mild Conditions20Bioinspired Catalysis with Biomimetic Clusters0Functions and Applications of Mixed-anion Compounds0Functions and Applications of Mixed-anion Compounds1Electron transfer from yttrium hydride to Mo-carbonitride boosts low-temperature ammonia synthesis5Progress in Green Ammonia Synthesis Technology: Catalytic Behavior of Ammonia Synthesis Catalysts67CN22– Vacancies Enhance Ammonia Synthesis over Air-Durable Alkaline Earth Metal Cyanamide-Supported Cobalt Catalysts11Mechanochemical Synthesis of Perovskite Oxyhydrides: Insights from Shear Modulus15Photoexcitation Altered Reaction Pathway Greatly Facilitate Ammonia Synthesis Over Isolated Ru Sites43Ammonia Energy: Synthesis and Utilization38Unraveling the role of MgO in the Ru-Ba/MgO catalyst for boosting ammonia synthesis: Comparative study of MgO and MgAlO supports24Deep eutectic solvent-assisted synthesis of oxygen vacancy-rich BaTiO3 as a support for Ru catalyst in ammonia synthesis at atmospheric pressure10Mechanism of synthesis ammonia over atomically dispersed Ni/BCN catalyst under atmospheric pressure and low-temperature conditions6Promoting Effect of Bulk Cs+ over Cs0.68Ti1.83O4 for Ammonia Synthesis8Innovative progress of thermal ammonia synthesis under mild conditions30Unlocking the Potential of MXene in Catalysis: Decorated Mo2CTx Catalyst for Ammonia Synthesis under Mild Conditions55Hierarchical Carbon Nanocages as Superior Supports for Photothermal CO 2 Catalysis9One Iron for Two Iron Sites in a Metal–Organic Framework Toward Simultaneous N2−H2 Activation under Mild Conditions9One Iron for Two Iron Sites in a Metal–Organic Framework Toward Simultaneous N2−H2 Activation under Mild Conditions0Ammonia Synthesis over Ruthenium Supported on Metastable Perovskite Oxyhydrides Ba RE O 2 H ( RE = Y, Sc) Prepared by Mechanochemical Method14Recent advances in thermocatalytic ammonia synthesis and decomposition21Enabling Sustainable Ammonia Synthesis: From Nitrogen Activation Strategies to Emerging Materials70Highly active manganese nitride-europium nitride catalyst for ammonia synthesis5Silicon Clathrate‐Supported Catalysts with Low Work Functions for Ammonia Synthesis15Fullerene on non-iron cluster-matrix co-catalysts promotes collaborative H2 and N2 activation for ammonia synthesis105Selective Hydride Interstitials Induced in a High-Entropy Lanthanide Oxyhydride1Promotion effects in ammonia synthesis over ruthenium catalysts: A review12

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  3. Three-dimensional ordered macroporous Ru-substituted BaZrO 3 perovskites: active catalysts for ammonia synthesis under mild conditions

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  4. Recent progress in heterogeneous ammonia synthesis

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

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  10. Influence of CeO2 supports prepared with different precipitants over Ru/CeO2 catalysts for ammonia synthesis

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

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  50. Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO

    Crystals · 2021-06-26

    Nicolas Zapp, Denis V. Sheptyakov, Holger Kohlmann

    Read original paper ↗ ·
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