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RESEARCH PAPER · Nature Communications · 2018

Expanding frontiers in materials chemistry and physics with multiple anions

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Expanding frontiers in materials chemistry and physics with multiple anionsOriginalImproved water oxidation under visible light on oxyhalide Bi 4 MO 8 X (M = Nb, Ta; X = Cl, Br) photocatalysts prepared using excess halogen precursors43Nitrogen/fluorine-codoped rutile titania as a stable oxygen-evolution photocatalyst for solar-driven Z-scheme water splitting39Preparation, electronic structure of gadolinium oxyhydride and low-energy 5d excitation band for green luminescence of doped Tb 3+ ions44Two-step synthesis of Sillén–Aurivillius type oxychlorides to enhance their photocatalytic activity for visible-light-induced water splitting66Water Splitting on Rutile TiO2‐Based Photocatalysts179Structural Diversity from Anion Order in Heteroanionic Materials53A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction171Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light94AgFeOF2: A Fluorine-Rich Perovskite Oxyfluoride32Design and exploration of semiconductors from first principles: A review of recent advances185Redshift and thermal quenching of Ce3+ emission in (Gd, Y)3(Al, Si)5(O, N)12 oxynitride garnet phosphors35Hydride‐Enhanced CO2 Methanation: Water‐Stable BaTiO2.4H0.6 as a New Support51Second-order nonlinear optical crystals with mixed anions251Chemical Pressure-Induced Anion Order–Disorder Transition in LnHO Enabled by Hydride Size Flexibility89Function of Tetrahedral ZnS3O Building Blocks in the Formation of SrZn2S2O: A Phase Matchable Polar Oxysulfide with a Large Second Harmonic Generation Response83Solar Water Oxidation by a Visible‐Light‐Responsive Tantalum/Nitrogen‐Codoped Rutile Titania Anode for Photoelectrochemical Water Splitting and Carbon Dioxide Fixation43Effects of Interfacial Electron Transfer in Metal Complex–Semiconductor Hybrid Photocatalysts on Z-Scheme CO2 Reduction under Visible Light71Oxidation states and ionicity207Two-Dimensional Metal Oxide Nanosheets as Building Blocks for Artificial Photosynthetic Assemblies193Light Absorption Properties and Electronic Band Structures of Lead Titanium Oxyfluoride Photocatalysts Pb 2 Ti 4 O 9 F 2 and Pb 2 Ti 2 O 5.4 F 1.238Metal‐Dependent Support Effects of Oxyhydride‐Supported Ru, Fe, Co Catalysts for Ammonia Synthesis202High‐Pressure Synthesis of A 2 NiO 2 Ag 2 Se 2 (A=Sr, Ba) with a High‐Spin Ni 2+ in Square‐Planar Coordination40A full palette: Crystal chemistry, polymorphism, synthetic strategies, and functional applications of lanthanide oxyhalides41First principles study for band engineering of KNbO 3 with 3d transition metal substitution46Frontiers and progress in cation-uptake and exchange chemistry of polyoxometalate-based compounds97Preparation of (Zn 1+x Ge)(N 2 O x ) nanoparticles with enhanced NO x decomposition activity under visible light irradiation by nitridation of Zn 2 GeO 4 nanoparticles designed precisely41Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS 2 O (Ae = Sr, Ba)45Interplay between Composition, Electronic Structure, Disorder, and Doping due to Dual Sublattice Mixing in Nonequilibrium Synthesis of ZnSnN2:O48Oxyhydride Nature of Rare-Earth-Based Photochromic Thin Films78Heteroanionic Materials by Design: Progress Toward Targeted Properties236Two dimensional bismuth-based layered materials for energy-related applications142Band Engineering of Double-Layered Sillén–Aurivillius Perovskite Oxychlorides for Visible-Light-Driven Water Splitting76Metal‐Complex/Semiconductor Hybrid Photocatalysts and Photoelectrodes for CO2 Reduction Driven by Visible Light281Transformation of the B–O Units from Corner-Sharing to Edge-Sharing Linkages in BaMBO4 (M = Ga, Al)33Exploring Structures and Properties through Anion Chemistry36Hydride Conductivity in an Anion-Ordered Fluorite Structure LnHO with an Enlarged Bottleneck73Multiple Anionic Transition-Metal Oxycarbide for Better Lithium Storage and Facilitated Multielectron Reactions36Solar-Driven Photoelectrochemical Water Oxidation over an n-Type Lead–Titanium Oxyfluoride Anode51Versatile and Highly Efficient Controls of Reversible Topotactic Metal–Insulator Transitions through Proton Intercalation40Hybrid Metal Halides with Multiple Photoluminescence Centers234YHO, an Air-Stable Ionic Hydride37Fe/Ru Oxide as a Versatile and Effective Cocatalyst for Boosting Z-Scheme Water-Splitting: Suppressing Undesirable Backward Electron Transfer32Creating visible-to-near-infrared mechanoluminescence in mixed-anion compounds SrZn2S2O and SrZnSO146K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold114Modular Design via Multiple Anion Chemistry of the High Mobility van der Waals Semiconductor Bi4O4SeCl255Selective metathesis synthesis of MgCr 2 S 4 by control of thermodynamic driving forces43Defect Engineering for Photocatalysis: From Ternary to Perovskite Oxynitrides42Light-induced breathing in photochromic yttrium oxyhydrides46A Series of Chalcogenide Borates RE6Ta2MgQB8O26 (RE = Sm, Eu, Gd; Q = S, Se) Featuring a B4O10 Cluster33Two‐Dimensional Perovskite Oxynitride K2LaTa2O6N with an H+/K+ Exchangeability in Aqueous Solution Forming a Stable Photocatalyst for Visible‐Light H2 Evolution57Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate127Materials design of Kitaev spin liquids beyond the Jackeli–Khaliullin mechanism117Machine-Learning-Assisted Synthesis of Polar Racemates33Structure Model for Anion-Disordered Photochromic Gadolinium Oxyhydride Thin Films33Second-Order Nonlinear-Optical-Active Selenide Borate YSeBO2: Featuring a [YSeBO2]n Planar Belt39Anion order in oxysulfide perovskites: origins and implications57Visible-Light-Induced Photocatalytic Activity of Stacked MXene Sheets of Y2CF244Highly Crystalline Hollow Toroidal Copper Phosphosulfide via Anion Exchange: A Versatile Cation Exchange Nanoplatform41Synthesis of Three-Layer Perovskite Oxynitride K2Ca2Ta3O9N·2H2O and Photocatalytic Activity for H2 Evolution under Visible Light35CelluPhot : Hybrid Cellulose−Bismuth Oxybromide Membrane for Pollutant Removal45Anionic Aliovalent Substitution from Structure Models of ZnS: Novel Defect Diamond‐like Halopnictide Infrared Nonlinear Optical Materials with Wide Band Gaps and Large SHG Effects78Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = Metals; X = S, Se, and Te) and Their Potential Applications41Challenges and Opportunities: Porous Supports in Carbonic Anhydrase Immobilization54Borates as promising electrode materials for rechargeable batteries93Recent Progress in Mixed‐Anion Materials for Solar Fuel Production60From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials47Borates: A Rich Source for Optical Materials1097Bonding heterogeneity in mixed-anion compounds realizes ultralow lattice thermal conductivity47Synthesis, band structure and photocatalytic properties of Sillén–Aurivillius oxychlorides BaBi 5 Ti 3 O 14 Cl, Ba 2 Bi 5 Ti 4 O 17 Cl and Ba 3 Bi 5 Ti 5 O 20 Cl with triple-, quadruple- and quintuple-perovskite layers43Unexpected high selectivity for acetate formation from CO 2 reduction with copper based 2D hybrid catalysts at ultralow potentials43Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis109Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors107A combinatory ferroelectric compound bridging simple ABO3 and A-site-ordered quadruple perovskite117Tunable Lithium-Ion Transport in Mixed-Halide Argyrodites Li 6– x PS 5– x ClBr x : An Unusual Compositional Space200Influence of Cation (RE = Sc, Y, Gd) and O/H Anion Ratio on the Photochromic Properties of REOxH3–2x Thin Films34Insight into Nickel‐Cobalt Oxysulfide Nanowires as Advanced Anode for Sodium‐Ion Capacitors54LignoPhot: Conversion of hydrolysis lignin into the photoactive hybrid lignin/Bi4O5Br2/BiOBr composite for simultaneous dyes oxidation and Co2+ and Ni2+ recycling33Degradation of low-concentration perfluorooctanoic acid via a microbial-based synergistic method: assessment of the feasibility and functional microorganisms49Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase41Anion ordering enables fast H − conduction at low temperatures68Computational discovery of stable and metastable ternary oxynitrides38Alkali-Rich Antiperovskite M3FCh (M = Li, Na; Ch = S, Se, Te): The Role of Anions in Phase Stability and Ionic Transport41Preparation of Bulk‐Phase Nitride Perovskite LaReN3 and Topotactic Reduction to LaNiO2‐Type LaReN257Element selection for crystalline inorganic solid discovery guided by unsupervised machine learning of experimentally explored chemistry80La 3 Ga 3 Ge 2 S 3 O 10 : An Ultraviolet Nonlinear Optical Oxysulfide Designed by Anion‐Directed Band Gap Engineering63Site-Selective Eu 3+ Luminescence in the Monoclinic Phase of YSiO 2 N32Recent Progress on Mixed-Anion Materials for Energy Applications111A Fluoride‐Ion‐Conducting Solid Electrolyte with Both High Conductivity and Excellent Electrochemical Stability72The electronic properties of SrTiO3-δ with oxygen vacancies or substitutions36Complex coordinated functional groups: A great genes for nonlinear optical materials64Topotactic transformation of single crystals: From perovskite to infinite-layer nickelates83Recent progress in the development of glass and glass-ceramic cathode/solid electrolyte materials for next-generation high capacity all-solid-state sodium-ion batteries: A review90Element doping: a marvelous strategy for pioneering the smart applications of VO 276Manipulation of charge carrier flow in Bi 4 NbO 8 Cl nanoplate photocatalyst with metal loading40Shining Light on Anion-Mixed Nanocatalysts for Efficient Water Electrolysis: Fundamentals, Progress, and Perspectives121Unfolding the Role of B Site-Selective Doping of Aliovalent Cations on Enhancing Sacrificial Visible Light-Induced Photocatalytic H 2 and O 2 Evolution over BaTaO 2 N58Low Thermal Conductivity in Heteroanionic Materials with Layers of Homoleptic Polyhedra42Lignin-Supported Heterogeneous Photocatalyst for the Direct Generation of H 2 O 2 from Seawater250Interfacial triboelectrification-modulated self-recoverable and thermally stable mechanoluminescence in mixed-anion compounds107Electronic Engineering of ABO3 Perovskite Metal Oxides Based on d0 Electronic‐Configuration Metallic Ions toward Photocatalytic Water Splitting under Visible Light44Structural Diversity of Rare-Earth Oxychalcogenides32Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups78Deep Generative Models for Materials Discovery and Machine Learning-Accelerated Innovation118Dynamic Magnetic Crossover at the Origin of the Hidden-Order in van der Waals Antiferromagnet CrSBr118Mixed Chalcogenide‐Halides for Stable, Lead‐Free and Defect‐Tolerant Photovoltaics: Computational Screening and Experimental Validation of CuBiSCl 2 with Ideal Band Gap35Modeling Polyhedron Distortion for Mechanoluminescence in Mixed-Anion Compounds RE2O2S:Ln3+57Reflections on one million compounds in the open quantum materials database (OQMD)52Retardation of Structure Densification by Increasing Covalency in Li-Rich Layered Oxide Positive Electrodes for Li-Ion Batteries43[Ba2F2][Ge2O3S2]: An Unprecedented Heteroanionic Infrared Nonlinear Optical Material Containing Three Typical Anions47The key role of molecular aggregation in rechargeable organic cathodes38Ln2(SeO3)2(SO4)(H2O)2 (Ln=Sm, Dy, Yb): A Mixed‐Ligand Pathway to New Lanthanide(III) Multifunctional Materials Featuring Nonlinear Optical and Magnetic Anisotropy Properties36Synthesis of Narrow-Band-Gap GaN:ZnO Solid Solution for Photocatalytic Overall Water Splitting87Emerging Chalcohalide Materials for Energy Applications164Zwitterions in 3D Perovskites: Organosulfide-Halide Perovskites38Aluminoborates as Nonlinear Optical Materials77Oxychalcogenides: A Promising Class of Materials for Nonlinear Optical Crystals with Mixed‐Anion Groups35Polar metals taxonomy for materials classification and discovery38A Review on Heteroanionic-Based Materials for Photocatalysis Applications37Theoretical Prediction of Thermoelectric Performance for Layered LaAgOX (X = S, Se) Materials in Consideration of the Four‐Phonon and Multiple Carrier Scattering Processes49New Oxyhalide Solid Electrolytes with High Lithium Ionic Conductivity >10 mS cm −1 for All‐Solid‐State Batteries297New Oxyhalide Solid Electrolytes with High Lithium Ionic Conductivity >10 mS cm−1for All‐Solid‐State Batteries35Advances on Microsupercapacitors: Real Fast Miniaturized Devices toward Technological Dreams for Powering Embedded Electronics?42Amorphous Oxysulfide Reconstructed from Spinel NiCo 2 S 4 for Efficient Water Oxidation35Photoreforming of Waste Polymers for Sustainable Hydrogen Fuel and Chemicals Feedstock: Waste to Energy247Fast Li+-conducting Zr4+-based oxychloride electrolyte with good thermal and solvent stability34Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance56Photocatalytic water splitting608Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature65Progress in Manipulating Dynamic Surface Reconstruction via Anion Modulation for Electrocatalytic Water Oxidation66Nanostructured Metal Chalcohalide Photocatalysts: Crystal Structures, Synthesis, and Applications34Stereochemically Active Lone-Pair Containing Metal Substitution in Polar Axis toward a Giant Phase-Matchable Optical Nonlinear Silicate Crystal Li 3 (OH)PbSiO 462Perovskite BaTaO 2 N: From Materials Synthesis to Solar Water Splitting44Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61Fluorination strategy toward chemical and functional modification65A brief review of characteristic luminescence properties of Eu 3+ in mixed-anion compounds53Band engineering of layered oxyhalide photocatalysts for visible-light water splitting43Rare-earth-based chalcogenides and their derivatives: an encouraging IR nonlinear optical material candidate71Double-Layered Perovskite Oxyfluoride Cathodes with High Capacity Involving O–O Bond Formation for Fluoride-Ion Batteries52Research progress on chloride solid electrolytes for all-solid-state batteries49Metal Methanesulfonates with Mixed Anionic Groups with Large Band Gaps and Enhanced Birefringence50Uncovering the neglected role of anions in trivalent cation-based coagulation processes35Recent progress, challenges and prospects of electrolytes for fluoride-ion batteries59How to Correctly Analyze 2p X-ray Photoelectron Spectra of 3d Transition-Metal Oxides: Pitfalls and Principles140Lone Pair Induced 1D Character and Weak Cation–Anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-Anion Metal Chalcohalide CuBiSCl237Supra-ceramics: a molecule-driven frontier of inorganic materials45Crystal Chemistry and Design Principles of Altermagnets47Looking Back the Nonlinear Optical Crystals in a Functionalized Unit's Perspective109Exploiting chemical bonding principles to design high-performance thermoelectric materials58Highly Repeatable and Cyclically Stable Mechanoluminescence of the Flexible Composite Elastomer38Therapeutic Hydrogels: Properties and Biomedical Applications153

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  1. Improved water oxidation under visible light on oxyhalide Bi 4 MO 8 X (M = Nb, Ta; X = Cl, Br) photocatalysts prepared using excess halogen precursors

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  2. Isosymmetric structural phase transition of the orthorhombic lanthanum gallate structure as a function of temperature determined by Rietveld analysis

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  3. Nitrogen/fluorine-codoped rutile titania as a stable oxygen-evolution photocatalyst for solar-driven Z-scheme water splitting

    Sustainable Energy & Fuels · 2018-01-01

    Akinobu Miyoshi, Junie Jhon M. Vequizo, Shunta Nishioka, Yuma Kato, Muneaki Yamamoto, Shunsuke Yamashita, Toshiyuki Yokoi, Akihide Iwase, Shunsuke Nozawa, Akira Yamakata, Tomoko Yoshida, Koji Kimoto, Akihiko Kudo, Kazuhiko Maeda

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  4. PbFePO 4 F 2 with a 1/6th bond depleted triangular lattice

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  5. Preparation, electronic structure of gadolinium oxyhydride and low-energy 5d excitation band for green luminescence of doped Tb 3+ ions

    Journal of Materials Chemistry C · 2018-01-01

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  6. Synthesis and the physical properties of layered copper oxytellurides Sr 2 TMCu 2 Te 2 O 2 (TM = Mn, Co, Zn)

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  7. Two-step synthesis of Sillén–Aurivillius type oxychlorides to enhance their photocatalytic activity for visible-light-induced water splitting

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  8. Water Splitting on Rutile TiO2‐Based Photocatalysts

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  9. New Precursor Route Using a Compositionally Flexible Layered Oxide and Nanosheets for Improved Nitrogen Doping and Photocatalytic Activity

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  10. Single Crystal Growth of Sillén–Aurivillius Perovskite Oxyhalides Bi4NbO8X (X = Cl, Br)

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  11. Synthesis, Crystal Structure, and Optical Properties of Layered Perovskite Scandium Oxychlorides: Sr2ScO3Cl, Sr3Sc2O5Cl2, and Ba3Sc2O5Cl2

    Inorganic Chemistry · 2018-04-19

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  13. Structural Diversity from Anion Order in Heteroanionic Materials

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  14. A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction

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  15. New Method for the Synthesis of β-TaON Oxynitride Using (C6N9H3)n

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  16. Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light

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  17. Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light

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  18. CsFe3(SeO3)2F6 with S = 5/2 Cube Tile Lattice

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  19. AgFeOF2: A Fluorine-Rich Perovskite Oxyfluoride

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  20. Flux-Mediated Topochemical Growth of Platelet-Shaped Perovskite LiNbO3 Single Crystals from Layered Potassium Niobate Crystals

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  22. Intense hypersensitive luminescence of Eu3+-doped YSiO2N oxynitride with near-UV excitation

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  23. Redshift and thermal quenching of Ce3+ emission in (Gd, Y)3(Al, Si)5(O, N)12 oxynitride garnet phosphors

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  24. Hydride‐Enhanced CO2 Methanation: Water‐Stable BaTiO2.4H0.6 as a New Support

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  26. Incorporation of sulfur ions into La2−xSrxCuO4 superconducting cuprate

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  27. Effect of Fluoropolymer Composition on Topochemical Synthesis of SrMnO$_{3-{\delta}}$F$_{{\gamma}}$ Oxyfluoride Films

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  28. Effect of fluoropolymer composition on topochemical synthesis of SrMnO3−δFγ oxyfluoride films

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  29. Thermoelectric performance of materials with CuCh4 ( Ch= S, Se) tetrahedra: Similarities and differences among their low-dimensional electronic structure from first principles

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    Masayuki Ochi, Hitoshi Mori, Daichi Kato, Hidetomo Usui, Kazuhiko Kuroki

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  30. Second-order nonlinear optical crystals with mixed anions

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    Yu Pan, Sheng‐Ping Guo, Bin‐Wen Liu, Huaiguo Xue, Guo‐Cong Guo

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  31. Local coordination, electronic structure, and thermal quenching of Ce 3+ in isostructural Sr 2 GdAlO 5 and Sr 3 AlO 4 F phosphors

    Journal of the American Ceramic Society · 2018-08-09

    Haipeng Ji, Jian Xu, Kazuki Asami, Jumpei Ueda, M.G. Brik, Setsuhisa Tanabe

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  32. Multiferroism in Iron-Based Oxyfluoride Perovskites

    Inorganic Chemistry · 2018-08-14

    Steven Hartman, Sung June Cho, Rohan Mishra

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  33. Site Selectivity of Hydride in Early-Transition-Metal Ruddlesden–Popper Oxyhydrides

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    Olivier Hernandez, Grégory Geneste, Takeshi Yajima, Yoji Kobayashi, Masatoshi Okura, Kouhei Aidzu, Cédric Tassel, Serge Paofai, Diptikanta Swain, C. Ritter, Hiroshi Kageyama

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

    Journal of the American Chemical Society · 2018-08-20

    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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  35. Structural Change in SrSiO3 Induced by Introduction of Nitrogen

    Chemistry Letters · 2018-08-21

    Makoto Kobayashi, Jihae Kim, Hironori Sato, Takuya Yasunaga, Hideki Kato, Kotaro Fujii, Masahiro Shiraiwa, Masatomo Yashima, Masato Kakihana

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  36. Function of Tetrahedral ZnS3O Building Blocks in the Formation of SrZn2S2O: A Phase Matchable Polar Oxysulfide with a Large Second Harmonic Generation Response

    Chemistry of Materials · 2018-08-22

    Yoshihiro Tsujimoto, Christian A. Juillerat, Weiguo Zhang, Kotaro Fujii, Masatomo Yashima, P. Shiv Halasyamani, Hans‐Conrad zur Loye

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  37. Solar Water Oxidation by a Visible‐Light‐Responsive Tantalum/Nitrogen‐Codoped Rutile Titania Anode for Photoelectrochemical Water Splitting and Carbon Dioxide Fixation

    ChemPhotoChem · 2018-08-22

    Akinobu Nakada, Tomoki Uchiyama, Nozomi Kawakami, Go Sahara, Shunta Nishioka, Ryutaro Kamata, Hiromu Kumagai, Osamu Ishitani, Yoshiharu Uchimoto, Kazuhiko Maeda

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  38. Effects of Interfacial Electron Transfer in Metal Complex–Semiconductor Hybrid Photocatalysts on Z-Scheme CO2 Reduction under Visible Light

    ACS Catalysis · 2018-09-12

    Akinobu Nakada, Ryo Kuriki, Keita Sekizawa, Shunta Nishioka, Junie Jhon M. Vequizo, Tomoki Uchiyama, Nozomi Kawakami, Daling Lu, Akira Yamakata, Yoshiharu Uchimoto, Osamu Ishitani, Kazuhiko Maeda

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