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Re-examining the role of subsurface oxygen vacancies in the dissociation of H2O molecules on anatase TiO2

https://doi.org/10.1016/j.apsusc.2022.153452

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Chemistry of and on TiO2-anatase surfaces by DFT calculations: a partial review

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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One-step fabrication of N-doped mesoporous TiO2 nanoparticles by self-assembly for photocatalytic water splitting under visible light

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Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)

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Interplay between invasive single atom Pt and native oxygen vacancy in anatase TiO2(1 0 1) surface: A theoretical study

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A triptych photocatalyst based on the Co-Integration of Ag nanoparticles and carbo-benzene dye into a TiO2 thin film

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Electronic and elastic properties of the tetragonal anatase TiO2 structure from first principle calculation

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Effects of morphology on surface hydroxyl concentration: a DFT comparison of anatase–TiO2 and γ-alumina catalytic supports

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Photochemical splitting of water for hydrogen production by photocatalysis: A review

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The surface science of titanium dioxide

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On the UV–Visible Light Synergetic Mechanisms in Au/TiO2 Hybrid Model Nanostructures Achieving Photoreduction of Water

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Elucidating the Barriers on Direct Water Splitting: Key Role of Oxygen Vacancy Density and Coordination over PbTiO 3 and TiO 2

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Interplay between Methanol and Anatase TiO2(101) Surface: The Effect of Subsurface Oxygen Vacancy

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Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces

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Hierarchical Nanotubular Anatase/Rutile/TiO2(B) Heterophase Junction with Oxygen Vacancies for Enhanced Photocatalytic H2 Production

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Environmental Applications of Semiconductor Photocatalysis

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Structural-electronic relationships in inorganic solids: powder neutron diffraction studies of the rutile and anatase polymorphs of titanium dioxide at 15 and 295 K

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Mechanism and Activity of Photocatalytic Oxygen Evolution on Titania Anatase in Aqueous Surroundings

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Influence of Subsurface Defects on the Surface Reactivity of TiO2: Water on Anatase (101)

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Vertical and Lateral Order in Adsorbed Water Layers on Anatase TiO2(101)

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Electrochemical Photolysis of Water at a Semiconductor Electrode

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Local ordering and electronic signatures of submonolayer water on anatase TiO2(101)

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Energetics and diffusion of intrinsic surface and subsurface defects on anatase TiO2(101)

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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Ab initio molecular dynamics for liquid metals

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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

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Projector augmented-wave method

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

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From ultrasoft pseudopotentials to the projector augmented-wave method

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Structure and energetics of stoichiometric TiO 2 anatase surfaces

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Aggregation and electronically induced migration of oxygen vacancies in TiO2 anatase

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Evidence for the Predominance of Subsurface Defects on Reduced Anatase TiO 2 ( 101 )

inferredcites →https://doi.org/10.1103/physrevlett.112.206101openalex-snapshot

Interplay between Water and TiO2 Anatase (101) Surface with Subsurface Oxygen Vacancy

inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot

Generalized Gradient Approximation Made Simple

inferredcites →https://doi.org/10.1103/physrevlett.81.2954openalex-snapshot

Structure and Energetics of Water Adsorbed at TiO 2 Anatase \(101\) and \(001\) Surfaces

inferredcites →https://doi.org/10.1126/science.1061051openalex-snapshot

Visible-Light Photocatalysis in Nitrogen-Doped Titanium Oxides

inferredcites →https://doi.org/10.1142/9789812839664_0016openalex-snapshot

Nudged elastic band method for finding minimum energy paths of transitions

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Photocatalytic Activity of S-doped TiO2 Photocatalyst under Visible Light

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Aldehyde Hydrogenation by Pt/TiO2 Catalyst in Aqueous Phase: Synergistic Effect of Oxygen Vacancy and Solvent Water

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Structural and morphological properties of titanium dioxide nanoparticles dopped by Boron atoms

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