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RESEARCH PAPER · Journal of the American Chemical Society · 2015

Synergistic Oxygen Evolving Activity of a TiO 2 -Rich Reconstructed SrTiO 3 (001) Surface

John Mark P. Martirez, Seungchul Kim, Erie H. Morales, Benjamin T. Diroll, Matteo Cargnello, Thomas R. Gordon, Christopher B. Murray, Dawn A. Bonnell, Andrew M. Rappe

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Synergistic Oxygen Evolving Activity of a TiO 2 -Rich Reconstructed SrTiO 3 (001) SurfaceOriginalNOx Adsorption on ATiO3(001) Perovskite Surfaces11Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions19A DFT study of the effect of SO 4 groups on the properties of TiO 2 nanoparticles11Theoretical Modeling of Tribochemical Reaction on Pt and Au Contacts: Mechanical Load and Catalysis33New modalities of strain-control of ferroelectric thin films132Screening mechanisms at polar oxide heterointerfaces85Photocatalytic removal of NO from coal-fired flue gas by H2O2/UV reaction over TiS catalyst21Water Oxidation on Oxygen-Deficient Barium Titanate: A First-Principles Study43Topotactic Epitaxy of SrTiO3 Mesocrystal Superstructures with Anisotropic Construction for Efficient Overall Water Splitting119Topotactic Epitaxy of SrTiO3 Mesocrystal Superstructures with Anisotropic Construction for Efficient Overall Water Splitting14Atomically flat single terminated oxide substrate surfaces110Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts57Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts23In situ study of redox processes on the surface of SrTiO3 single crystals35Active Role of Phosphorus in the Hydrogen Evolving Activity of Nickel Phosphide (0001) Surfaces151Ambient-Pressure XPS Studies of Reactions of Alcohols on SrTiO3(100)34The Development of Functional Mesocrystals for Energy Harvesting, Storage, and Conversion30Acid–base catalysis over perovskites: a review144Contribution of electrolyte in nanoscale electrolysis of pure and buffered water by particulate photocatalysis33High-efficiency photocatalytic performance of Cr–SrTiO3-modified black TiO2 nanotube arrays14Ab Initio Simulation Explains the Enhancement of Catalytic Oxygen Evolution on CaMnO343Homogeneous Electron Doping into Nonstoichiometric Strontium Titanate Improves Its Photocatalytic Activity for Hydrogen and Oxygen Evolution50Effects of the Aqueous Environment on the Stability and Chemistry of β-NiOOH Surfaces70Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions19Understanding the Impact of Surface Reconstruction of Perovskite Catalysts on CH4 Activation and Combustion68Water adsorption, dissociation and oxidation on SrTiO 3 and ferroelectric surfaces revealed by ambient pressure X-ray photoelectron spectroscopy75In situ synthesis and oriented growth of flowerlike SrTiO3 on Ti foil with enhanced photoelectrochemical performance0Combined theoretical and experimental characterizations of semiconductors for photoelectrocatalytic applications54Impact of Surface Composition of SrTiO3 Catalysts for Oxidative Coupling of Methane54Surface Reconstructions of Metal Oxides and the Consequences on Catalytic Chemistry221Growth of ultrathin Ru oxide films on perovskite and corundum substrates2Influence of surface restructuring on the activity of SrTiO3 photoelectrodes for photocatalytic hydrogen reduction6Water Splitting on Ti-Oxide-Terminated SrTiO3(001)19Insights into the Electrochemical Oxygen Evolution Reaction with ab Initio Calculations and Microkinetic Modeling: Beyond the Limiting Potential Volcano259Catalytic consequences of ultrafine Pt clusters supported on SrTiO3 for photocatalytic overall water splitting97Oxygen Evolution Reaction (OER) on Clean and Oxygen Deficient Low-Index SrTiO3 Surfaces: A Theoretical Systematic Study23Rod-like incipient ferroelectric SrTiO3 polycrystal with crystal-axis orientation8Facet-Independent Oxygen Evolution Activity of Pure β-NiOOH: Different Chemistries Leading to Similar Overpotentials195Polar or not polar? The interplay between reconstruction, Sr enrichment, and reduction at the La0.75Sr0.25MnO3 (001) surface28Surface stability of perovskite oxides under OER operating conditions: a first principles approach35The role of the dopant and structural defects on the water absorption and on the H2 formation in the Al, Co and Cu doped SrTiO3 perovskite steps20Promotional Effect of S Doping on V2O5–WO3/TiO2 Catalysts for Low-Temperature NOx Reduction with NH332Why Do We Use the Materials and Operating Conditions We Use for Heterogeneous (Photo)Electrochemical Water Splitting?150Tuning proton-coupled electron transfer by crystal orientation for efficient water oxidization on double perovskite oxides182Accuracy in Resolving the First Hydration Layer on a Transition-Metal Oxide Surface: Experiment (AP-XPS) and Theory13IrO 2 Surface Complexions Identified through Machine Learning and Surface Investigations65Defect engineering of oxide perovskites for catalysis and energy storage: synthesis of chemistry and materials science335Manipulating Surface Termination of Perovskite Manganate for Oxygen Activation44Precipitation of dopants on acceptor-doped LaMnO3±δ revealed by defect chemistry from first principles9Effect of reduction produced defects on the dielectric relaxation and electrical conduction of Na0.5Bi0.5TiO3-based ceramics5Oxidation processes at the surface of BaTiO3 thin films under environmental conditions91Mechanistic Insights into CO2 Electroreduction on Ni2P: Understanding Its Selectivity toward Multicarbon Products41Large vibrational free energy of tightly bonded small chemicals on metal surfaces2Surface Design Strategy of Catalysts for Water Electrolysis430On the Mechanism of Heterogeneous Water Oxidation Catalysis: A Theoretical Perspective14Interaction of 2-propanol with predominantly SrO- and TiO 2 -terminated SrTiO 3 (100) surfaces studied by vibrational sum frequency spectroscopy1Synthesis and Structure of an Ion‐Exchanged SrTiO3 Photocatalyst with Improved Reactivity for Hydrogen Evolution9Relationship between the Surface Reconstruction of Nickel Phosphides and Their Activity toward the Hydrogen Evolution Reaction75An in situ study on the depth-resolved chemical states of undoped SrTiO 3 (001) surfaces during Ar + sputtering and annealing processes with XPS5Surface phase diagrams from nested sampling17Photocatalytic Enhancement for CO2 Reduction Using Au Nanoparticles Supported on Fe‐Doped SrTiO3−δ Perovskite4Study of CO2 Adsorption Properties on the SrTiO3(001) Surface with Ambient Pressure XPS18Chemical control of polymorphism and ferroelectricity in PbTiO 3 and SrTiO 3 monolayers and bilayers0A Ternary Reconstruction on the SrTiO 3 (001) Surface6Surface Reconstruction Promotes CO2 Activation on the SrTiO3(001) Surface: Insight from Quantum Dynamics10Synergistic Effect of Crystal Surface Regulation and Coordination Optimization in TiO2 Photocatalytic Degradation of Phenol1Facet-dependent thermal stability of SrTiO 3 surfaces driven by defects, adsorbates, and reconstructions0SrTiO3 perovskite-controlled oxidation states of NiIn bimetallic sites for selectivity switch in CO2 hydrogenation0A -site adatoms stabilize A B O 3 ( 001 ) surface reconstructions0

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  1. NOx Adsorption on ATiO3(001) Perovskite Surfaces

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  2. Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions

    Physical Review B · 2015-12-17

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  3. A DFT study of the effect of SO 4 groups on the properties of TiO 2 nanoparticles

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  4. Theoretical Modeling of Tribochemical Reaction on Pt and Au Contacts: Mechanical Load and Catalysis

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  5. New modalities of strain-control of ferroelectric thin films

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  6. Screening mechanisms at polar oxide heterointerfaces

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  7. Photocatalytic removal of NO from coal-fired flue gas by H2O2/UV reaction over TiS catalyst

    Journal of Alloys and Compounds · 2016-08-24

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  8. Water Oxidation on Oxygen-Deficient Barium Titanate: A First-Principles Study

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  9. Topotactic Epitaxy of SrTiO3 Mesocrystal Superstructures with Anisotropic Construction for Efficient Overall Water Splitting

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  10. Topotactic Epitaxy of SrTiO3 Mesocrystal Superstructures with Anisotropic Construction for Efficient Overall Water Splitting

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  11. Atomically flat single terminated oxide substrate surfaces

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  12. Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts

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  13. Controlling Reaction Selectivity through the Surface Termination of Perovskite Catalysts

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  14. In situ study of redox processes on the surface of SrTiO3 single crystals

    Applied Surface Science · 2017-06-28

    Dominik Wrana, Christian Rodenbücher, Wojciech Bełza, K. Szot, F. Krok

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  15. Active Role of Phosphorus in the Hydrogen Evolving Activity of Nickel Phosphide (0001) Surfaces

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  16. Ambient-Pressure XPS Studies of Reactions of Alcohols on SrTiO3(100)

    The Journal of Physical Chemistry C · 2017-10-03

    Yafen Zhang, Aditya Savara, David R. Mullins

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  17. The Development of Functional Mesocrystals for Energy Harvesting, Storage, and Conversion

    Chemistry - A European Journal · 2017-10-19

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  18. Acid–base catalysis over perovskites: a review

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  19. Contribution of electrolyte in nanoscale electrolysis of pure and buffered water by particulate photocatalysis

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  20. High-efficiency photocatalytic performance of Cr–SrTiO3-modified black TiO2 nanotube arrays

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  21. Ab Initio Simulation Explains the Enhancement of Catalytic Oxygen Evolution on CaMnO3

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  22. Homogeneous Electron Doping into Nonstoichiometric Strontium Titanate Improves Its Photocatalytic Activity for Hydrogen and Oxygen Evolution

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  23. Effects of the Aqueous Environment on the Stability and Chemistry of β-NiOOH Surfaces

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  24. Ab Initio Predictions of Double-Layer TiO 2 -Terminated SrTiO 3 (001) Surface Reconstructions

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  25. Understanding the Impact of Surface Reconstruction of Perovskite Catalysts on CH4 Activation and Combustion

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  26. Water adsorption, dissociation and oxidation on SrTiO 3 and ferroelectric surfaces revealed by ambient pressure X-ray photoelectron spectroscopy

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  27. In situ synthesis and oriented growth of flowerlike SrTiO3 on Ti foil with enhanced photoelectrochemical performance

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  29. Impact of Surface Composition of SrTiO3 Catalysts for Oxidative Coupling of Methane

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  33. Water Splitting on Ti-Oxide-Terminated SrTiO3(001)

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  36. Oxygen Evolution Reaction (OER) on Clean and Oxygen Deficient Low-Index SrTiO3 Surfaces: A Theoretical Systematic Study

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  37. Rod-like incipient ferroelectric SrTiO3 polycrystal with crystal-axis orientation

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  38. Facet-Independent Oxygen Evolution Activity of Pure β-NiOOH: Different Chemistries Leading to Similar Overpotentials

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  39. Polar or not polar? The interplay between reconstruction, Sr enrichment, and reduction at the La0.75Sr0.25MnO3 (001) surface

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  40. Surface stability of perovskite oxides under OER operating conditions: a first principles approach

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  41. The role of the dopant and structural defects on the water absorption and on the H2 formation in the Al, Co and Cu doped SrTiO3 perovskite steps

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  44. Tuning proton-coupled electron transfer by crystal orientation for efficient water oxidization on double perovskite oxides

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  49. Precipitation of dopants on acceptor-doped LaMnO3±δ revealed by defect chemistry from first principles

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  50. Effect of reduction produced defects on the dielectric relaxation and electrical conduction of Na0.5Bi0.5TiO3-based ceramics

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