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RESEARCH PAPER · Journal of the American Chemical Society · 2021

Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light Photocatalysis

Akinobu Nakada, Daichi Kato, Ryky Nelson, Hikaru Takahira, Masayoshi Yabuuchi, Masanobu Higashi, Hajime Suzuki, Maria A. Kirsanova, Naoji Kakudou, Cédric Tassel, Takafumi Yamamoto, Craig M. Brown, Richard Dronskowski, Akinori Saeki, Artem M. Abakumov, Hiroshi Kageyama, Ryu Abe

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Conduction Band Control of Oxyhalides with a Triple-Fluorite Layer for Visible Light PhotocatalysisOriginalSynthesis, 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 layers43S = 1/2 Chain in BiVO3F: Spin Dimers versus Photoanodic Properties19Solid-phase synthesis of Bi3−xYxO4Cl solid solution for visible-light photocatalytic hydrogen generation17Durable Metal Heteroanionic Photocatalysts24Roles of Graphene Oxide in Heterogeneous Photocatalysis190Bi4AO6Cl2 (A = Ba, Sr, Ca) with Double and Triple Fluorite Layers for Visible-Light Water Splitting17Recent Progress on Mixed-Anion Materials for Energy Applications110Sulfur Vacancy and Ti 3 C 2 T x Cocatalyst Synergistically Boosting Interfacial Charge Transfer in 2D/2D Ti 3 C 2 T x /ZnIn 2 S 4 Heterostructure for Enhanced Photocatalytic Hydrogen Evolution290Enhancing internal electric field by Zn 2+ doping for promoting bulk-charge separation and improving visible photocatalytic activity of Bi 2 YO 4 Cl12Improved water oxidation activity of a Sillén SrBi 3 O 4 Cl 3 photocatalyst by flux method with an appropriate binary-component molten salt11Manipulation of charge carrier flow in Bi 4 NbO 8 Cl nanoplate photocatalyst with metal loading40pH-regulated hydrothermal synthesis and characterization of Sb 4 O 5 X 2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination25Recent advances and perspectives for solar-driven water splitting using particulate photocatalysts869Structural stability, electronic, optical, and thermoelectric properties of layered perovskite Bi 2 LaO 4 I7Water oxidation of visible-light-responsive bismuth-yttrium oxychloride promoted by a dual-ion doping strategy for assembly of Z-scheme overall water splitting252021 NIST Center for Neutron Research accomplishments and opportunities2Strain Adjustment Realizes the Photocatalytic Overall Water Splitting on Tetragonal Zircon BiVO 490Bandgap Engineering and Oxygen Vacancies of NixV2O5+x (x = 1, 2, 3) for Efficient Visible Light‐Driven CO2 to CO with Nearly 100% Selectivity18Built in electric field boosted photocatalytic performance in a ferroelectric layered material SrBi2Ta2O9 with oriented facets: Charge separation and mechanism insights59Perylenetetracarboxylic acid nanosheets with internal electric fields and anisotropic charge migration for photocatalytic hydrogen evolution284In‐Depth Understanding of the Effect of Halogen‐Induced Stable 2D Bismuth‐Based Perovskites for Photocatalytic Hydrogen Evolution Activity105The True Nature of SmSb2O4Cl: Syntheses and Crystal Structures of Sm2[Sb4O8]Cl2 and Eu2[Sb4O8]Cl24Bi12O17Cl2 with a Sextuple BiO Layer Composed of Rock‐Salt and Fluorite Units and its Structural Conversion through Fluorination to Enhance Photocatalytic Activity31Morphology normalization of peony flower-like Bi2O2CO3 boosts photocatalytic seawater purification16A Ga Doped NiTiO3 Photocatalyst for Overall Water Splitting under Visible Light Illumination46Bismuth Gadolinium Oxychloride with a Remarkable Visible‐Light‐Responsive O2 Evolution Activity Promoted by Iodine Doping4Enhanced upconversion luminescence in layered Bi2GdO4Cl:Yb3+/Er3+ by reducing OVs and its application in photocatalysis14Conduction band tuning by strengthening s-p hybridization of novel layered oxyhalide Bi4SbO8Cl for efficient visible-light photocatalytic water splitting16Monolayer Fullerene Networks as Photocatalysts for Overall Water Splitting154Chemical bonding with plane waves9A Sillén oxyhalide SrBi 3 O 4 Cl 3 as a promising photocatalyst for water splitting: impact of the asymmetric structure on light absorption and charge carrier dynamics14Deciphering the photocatalytic hydrogen generation process of Fresnoite Ba 2 TiGe 2 O 8 by electronic structure and bond analyses9Realization of Visible Light Photocatalytic Ows Over Bi-Based Composite Oxides Through Surface Phosphorization0Reversible Iodine Intercalation in Lanthanide Incorporated Quasi-2d Bi2o30Single-Crystalline Bi2YO4Cl with Facet-Aided Photocarrier Separation for Robust Solar Water Splitting27Optical bandgap variation and photo-Fenton property evolution in Fe-doped Bi2YO4Cl6Self-assembly core-shell BixY1-xVO4@g-C3N4 as an S-scheme heterojunction photocatalyst for pure water splitting16Photoreforming of Waste Polymers for Sustainable Hydrogen Fuel and Chemicals Feedstock: Waste to Energy245High Oxide‐Ion Conductivity through the Interstitial Oxygen Site in Sillén Oxychlorides34Z-scheme 2D/2D heterojunction of ZnIn2S4/Ti-BPDC enhancing photocatalytic hydrogen evolution under visible light irradiation21Hole and Electron Doping Outcomes in Bi2YO4Cl9Reinforced AgFeO2-Bi4TaO8Cl p-n heterojunction with facet-assisted photocarrier separation for boosting photocatalytic degradation of ofloxacin43Orbital Engineering in Sillén–Aurivillius Phase Bismuth Oxyiodide Photocatalysts through Interlayer Interactions37Nanostructured Metal Chalcohalide Photocatalysts: Crystal Structures, Synthesis, and Applications34Towards the design of oxychalcogenide materials as candidates for solar water- splitting photocatalysis0Unlock the Visible-Light Photocatalytic OWS by Surface Disorder-Engineered Bi-Based Composite Oxides through Phosphorization8Artificial Photosynthesis for H2 Generation and CO2 Conversion0Triggering Dual Two‐electron Pathway for H 2 O 2 Generation by Multiple [Bi−O] n Interlayers in Ultrathin Bi 12 O 17 Cl 2 towards Efficient Piezo‐self‐Fenton Catalysis20Triggering Dual Two‐electron Pathway for H 2 O 2 Generation by Multiple [Bi−O] n Interlayers in Ultrathin Bi 12 O 17 Cl 2 towards Efficient Piezo‐self‐Fenton Catalysis54Advances in the structural engineering of layered bismuth-based semiconductors for visible light-driven photocatalytic water splitting34Band engineering of layered oxyhalide photocatalysts for visible-light water splitting42Defect Regulation of P-N Scheme Cu2nxo1-X/Pdinh Composites for Enhanced Photocatalytic Antibacterial Activities0Fluorosulfide La 2.7 Ba 6.3 F 8.7 S 6 with a double-layer honeycomb structure enabling fluoride-ion conduction3Graphene Derivatives from Graphite Modified by Metal Oxides for Photocatalytic Usage0Internal strain-driven bond manipulation and band engineering in Bi 2− x Sb x YO 4 Cl photocatalysts with triple fluorite layers7Quasi-2D Bi 0.775 Ln 0.225 O 1.5 (Ln = La, Pr, Nd, Sm, Eu): reversible iodine intercalation and their evaluation as the anode in the lithium-ion battery system5Mechanism of p-Type Heteroatom Doping of Lithium Stannate for the Photodegradation of 2,4-Dichlorophenol: Enhanced Hole Oxidative Capability and Concentrations9Rational Modulation of Effective Mass Near Band Edge of Li2SnO3 to Increase Photogenerated Carrier Separation Ratio and Photocatalytic Performance3Band Gap Narrowing by Suppressed Lone-Pair Activity of Bi 3+85Recent Advances in Redox-Based Z-Scheme Overall Water Splitting under Visible Light Irradiation16Sunlight sparks spectacular C(sp3)─H bond arylation: Rod shape ACC@MeF composite shines bright in 2,4‐dinitrophenylhydrazine reaction0Influence of Composition and Structure on the Optoelectronic Properties of Photocatalytic Bi4NbO8Cl–Bi2GdO4Cl Intergrowths3Defect regulation of p-n scheme Cu2N O1–/PDINH composites for enhanced photocatalytic antibacterial activities20LnSb2O4Br (Ln=Nd and Er) and Sb4O5Br2: Lanthanoid‐Bearing and ‐Free Antimony(III) Oxide Bromides2Tuning Dynamic Structural Evolution of Bi24O31Cl10 for Enhancing Piezo-Photocatalytic Nitrogen Oxidation to Nitrate27Internal Electric Field‐Induced High‐Efficiency Piezo‐Photocatalytic Performance in Bimetal‐Regulated Layered Perovskite SrBi 2 Nb 2 O 969Synthetically Enforced Cation Migration in Sillén–Aurivillius Hybrid Perovskites Boosts Photocatalytic Hydrogen Evolution4Photoelectric properties of the semiconductor Bi2YbO4Cl with broad spectral response1Microenvironment regulation of the electronic structure of bismuth oxychloride via rare-earth element samarium doping for remarkable visible-light-responsive oxygen evolution3Colossal dielectric constant with high capacitance induced by high entropy in layered bismuth oxychloride containing triple fluorite blocks3Emergence of Tetragonal Phase and Reentrant Transition in Tensile-Strained Bi2(La1–xBix)O4Cl Solid Solution5Advances in oxychalcogenide materials for hydrogen evolution photocatalysis in aqueous media9B-site substitution-induced band edge shifts in perovskite-type Cu(Nb,Ta)O 3 solid solutions for visible-light-driven hydrogen evolution0Electronic and optical properties of halogen-substituted LaBi 2 Cl 1− y X y O 4 : a promising candidate for energy-efficient devices0Excellent thermoelectric performance of Bi 2 MO 4 Cl (M = Y, La, and Bi) derived from ultra-low lattice thermal conductivity10Highly dispersed Fe–Ru dual cocatalysts derived from a Prussian blue analogue for boosting O 2 evolution on an oxyiodide photocatalyst0Monolayer C 60 networks: a first-principles perspective12The mixed-halogen layer approach of band engineering and anisotropic charge migration in X1X2 Sillén nanosheets boost cocatalyst-free photocatalytic hydrogen evolution4Unlocking the Key to Photocatalytic Hydrogen Production Using Electronic Mediators for Z-Scheme Water Splitting89Flux Synthesis of Sillén–Aurivillius Oxyiodide for Visible Light Water Splitting Photocatalysis12Exploring the Photocatalytic Mechanism of BiTi 4 GaO 11 : Insights from the Electronic Structure and Chemical Bonding6Ultrafast Oxygen Conduction in Sillén Oxychlorides3Emerging Mixed-Anion Semiconductors for Particulate Photocatalytic Water Splitting: Remarkable Structures and Innovative Fabrication Methods7Efficient photosynthesis of H2O2 over β-ZrNBr nitrohalide nanosheets0Understanding the Photocatalytic Water Reduction Capability of NaM(WO4)2 (M = Ga, Sc) by the Electronic Structure and Bond Characteristic Analysis6Polarization-Ordered Tandem in Superlattice Promoting C–N Photocatalytic Cross-Coupling14Engineering oxygen defects on Bi2WO6 to facilitate photoelectrocatalytic water splitting8Cs3Bi2Br9/Bi19Br3S27 Z-scheme heterojunction for visible-to-near-infrared light-driven photocatalytic CO2 reduction19Spontaneous Electric Field Directionality in One-Dimensional Semiconductors: Key to Efficient Charge Migration, Minimizing Recombination, and Enhancing Photocatalytic Performance8Synergistic Effect of Atomic‐Scale Interface Engineering and Built‐In Electric Field at S‐Scheme Bi 2 WO 6 /ZnIn 2 S 4 Heterojunctions for Photocatalytic Hydrogen Evolution28Ho 2 [As 4 O 9 ]: The First Ternary catena ‐Oxotetraarsenate(III) of the Lanthanoids3Manufacturing hydrogen peroxide from both photocatalytic oxygen reduction and water oxidation availed by bismuth yttrium oxyhalide7Stereochemical Lone Pair Activity on Post-transition Metal Cations for Electronic Structure Control0Lanthanide Incorporation Orchestrates the Structure–Activity Relationship in Bismuth Oxychloride for Visible-Light-Driven Water Splitting9Accelerating charge carrier dynamics via boron doping in Bi2YO4Cl nanosheets for efficient visible light photocatalytic degradation of tetracycline hydrochloride0Optical and dielectric properties of Sillén Bi 2 Y 1− x M x O 4 Cl (M = Cu, Cd)0Thermoelectric properties of layered Bi 2 YO 4 Br: a cageless rattler host structure0Synergistic Effect of Ultrasonication-Induced Surface Activation and A-Site Sr/Ba Distribution Unlocks Cocatalyst-Free Hydrogen Evolution in Sillén–Aurivillius Photocatalysts0Band gap engineering and lattice distortion for synergetic enhanced piezo-photocatalytic activity of Bi2NdO4Cl by Co ion doping2Morphology Control of a Layered Oxyhalide Bi 4 NbO 8 Cl Photocatalyst via Flux Synthesis0Band Engineering of Aurivillius Perovskites through Halogen Incorporation for Enhanced Photocatalytic H 2 Production0Directed Substitutional Control Unlocks Intrinsic Water Oxidation and Reduction Activity in an Oxyhalide Photocatalyst1Oxygen vacancy-enriched halogen-modified rare earth tantalate nanocomposites boost photo-sonocatalytic degradation of polycyclic aromatic hydrocarbon, fluorene1Tailoring of Layered Bismuth‐Based Materials: Advanced Functionalities for Environment, Energy, Photonics, Electronics, and Biomedicine1Lattice-Strain-Guided Cooperative A- and B-Site Engineering for Enhanced Site-Selective Doping and Bandgap Narrowing in Sr 1– y Ba y Ga 12– x In x O 190Accelerating Charge-Carrier Dynamics via Boron Doping in Bi 2 YO 4 Cl Nanosheets for Efficient Visible-Light Photocatalytic Degradation of Tetracycline Hydrochloride0Intergrowth Fluorite Slabs Modulate Interstitial Fluorine to Enhance Fluoride‐Ion Conductivity0Intergrowth Fluorite Slabs Modulate Interstitial Fluorine to Enhance Fluoride‐Ion Conductivity0Suppressing Second-Order Jahn–Teller Distortion of Bi3+ by Smaller Y3+-Substitution in Bi3O4Cl0

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  28. Conduction band tuning by strengthening s-p hybridization of novel layered oxyhalide Bi4SbO8Cl for efficient visible-light photocatalytic water splitting

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  30. Chemical bonding with plane waves

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  42. Reinforced AgFeO2-Bi4TaO8Cl p-n heterojunction with facet-assisted photocarrier separation for boosting photocatalytic degradation of ofloxacin

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  43. Orbital Engineering in Sillén–Aurivillius Phase Bismuth Oxyiodide Photocatalysts through Interlayer Interactions

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  44. Nanostructured Metal Chalcohalide Photocatalysts: Crystal Structures, Synthesis, and Applications

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  45. Towards the design of oxychalcogenide materials as candidates for solar water- splitting photocatalysis

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  46. Unlock the Visible-Light Photocatalytic OWS by Surface Disorder-Engineered Bi-Based Composite Oxides through Phosphorization

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