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Stepwise Photocatalytic Dissociation of Methanol and Water on TiO2(110)

https://doi.org/10.1021/ja304049x
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What this work says

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

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Influence of O2-induced surface roughening on the chemistry of water on TiO2(110)
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The surface science of titanium dioxide
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Photochemistry on nonreactive and reactive (semiconductor) surfaces
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Heterogeneous photocatalysis
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Environmental Applications of Semiconductor Photocatalysis
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Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
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Ti3+ Defect Sites on TiO2(110): Production and Chemical Detection of Active Sites
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Imaging Adsorbate O−H Bond Cleavage: Methanol on TiO 2 (110)
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Methanol Adsorption and Dissociation on TiO2(110) from First Principles Calculations
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In Situ ATR-FTIR Study on the Selective Photo-oxidation of Cyclohexane over Anatase TiO2
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Dissociation Free Energy Profiles for Water and Methanol on TiO2 Surfaces
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Methanol and Water Dissociation on TiO2 (110): The Role of Surface Oxygen
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Adsorption of Methanol on TiO2(110): A First-Principles Investigation
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Identification of the Active Species in Photochemical Hole Scavenging Reactions of Methanol on TiO2
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Electrochemical Photolysis of Water at a Semiconductor Electrode
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Photoelectrochemical cells
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Light-induced amphiphilic surfaces
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The chemistry of methanol on the TiO2(110) surface: the influence of vacancies and coadsorbed species
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Chemical reactions on rutile TiO2(110)
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Site-specific photocatalytic splitting of methanol on TiO2(110)
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Photocatalytic hydrogen production from liquid methanol and water
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Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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Rationale for mixing exact exchange with density functional approximations
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Special points for Brillouin-zone integrations
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Ab initio molecular dynamics for liquid metals
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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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Composition, structure, and stability of the rutile TiO2(110) surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption
inferredcites →https://doi.org/10.1103/physrevb.80.235416openalex-snapshot
Theoretical study of the molecular and electronic structure of methanol on a TiO2(110) surface
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
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Efficient Photochemical Water Splitting by a Chemically Modified n-TiO 2
inferredcites →https://doi.org/10.1126/science.1093425openalex-snapshot
Electron Transfer-Induced Dynamics of Oxygen Molecules on the TiO 2 (110) Surface
inferredcites →https://doi.org/10.1126/science.1122190openalex-snapshot
Ultrafast Interfacial Proton-Coupled Electron Transfer
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Increasing Solar Absorption for Photocatalysis with Black Hydrogenated Titanium Dioxide Nanocrystals

What points at this work

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

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inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08126openalex-snapshot
Methanol Adsorption and Reaction on TiO 2 (110) at Near Ambient Pressure
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08684openalex-snapshot
Photochemistry of Ethanol on Rutile TiO2(110): Breaking Two Bonds with One Hole
inferred← citeshttps://doi.org/10.1021/acs.jpcc.3c01631openalex-snapshot
Molten-Salt Synthesis of Triazine-Based Carbon Nitride and Its Photocatalytic Degradation Mechanism Investigation by In Situ NMR
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c00648openalex-snapshot
Photon Stimulated Desorption of C6H6 on Rutile TiO2(110): Hole or Electron Regulated?
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c02311openalex-snapshot
In Situ IR Spectroscopy Unveils Defects-Induced Changes in the Concentration of Surface-Available Photoholes in TiO2 Nanoparticles
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c06563openalex-snapshot
Hydrogen Production via Water Dissociation on Cu/Rutile-TiO2(110): The Effect of Cluster Size
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b00503openalex-snapshot
Effect of Surface Structure on the Photoreactivity of TiO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b05074openalex-snapshot
Direct Imaging Single Methanol Molecule Photocatalysis on Titania
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b06598openalex-snapshot
Spectral Identification of Methanol on TiO 2 (110) Surfaces with Sum Frequency Generation in the C–H Stretching Region
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b11362openalex-snapshot
Stable Pt Single Atoms and Nanoclusters on Ultrathin CuO Film and Their Performances in CO Oxidation
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b12010openalex-snapshot
Temperature- and Coverage-Dependent Kinetics of Photocatalytic Reaction of Methanol on TiO2 (110)-(1 × 1) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c04763openalex-snapshot
The Surface Chemistry of Methanol on TiO2(110): Effects of Pressure and Temperature on the Stability of C–O and C–H Bonds
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b02367openalex-snapshot
Dynamic Equilibrium of Reversible Reactions and Migration of Hydrogen Atoms Mediated by Diffusive Methanol on Rutile TiO2 (110)-(1 × 1) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b03689openalex-snapshot
Interaction of Formaldehyde with the Rutile TiO2(110) Surface: A Combined Experimental and Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b05053openalex-snapshot
Photo-Induced Reaction of Ethene Bound to Vanadia Nanoparticles [(V2O5)nOC2H4– (n = 2–20)] in the Gas Phase
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b08797openalex-snapshot
Dynamic Processes of Formaldehyde at Terminal Ti Sites on the Rutile TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6c00189openalex-snapshot
Effect of Water Structures on the Anatase TiO 2 Surface Wetting Based on Molecular Dynamics Simulations with Neural Network Potentials
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b02154openalex-snapshot
Surface Reconstruction-Induced Site-Specific Charge Separation and Photocatalytic Reaction on Anatase TiO2(001) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b04224openalex-snapshot
Effect of Multilayer Methanol and Water in Methanol Photochemistry on TiO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b07256openalex-snapshot
Identifying the Site-Dependent Photoactivity of Anatase TiO2(001)-(1×4) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b09527openalex-snapshot
Surface Chemistry of Formaldehyde on Rutile TiO2(011)-(2 × 1) Surface: Photocatalysis Versus Thermal-Catalysis
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b00724openalex-snapshot
Enhanced Hydrogen Production from Methanol Photolysis on a Formate-Modified Rutile-TiO 2 (110) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b02945openalex-snapshot
Low-Temperature Hydrogen Production via Water Conversion on Pt/TiO2
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b05648openalex-snapshot
Behavior of Photogenerated Electron–Hole Pair for Water Splitting on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b09077openalex-snapshot
Deuterium Kinetic Isotope Effect in the Photocatalyzed Dissociation of Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b09784openalex-snapshot
Visualizing Elementary Reactions of Methanol by Electrons and Holes on TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b00576openalex-snapshot
Identifying Different Adsorption States of Methanol on ZnO(1010): A Scanning Tunneling Microscopy and Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b02244openalex-snapshot
In Situ Studies on Temperature-Dependent Photocatalytic Reactions of Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b03922openalex-snapshot
Active Species in Photocatalytic Reactions of Methanol on TiO2(110) Identified by Surface Sum Frequency Generation Vibrational Spectroscopy
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b05581openalex-snapshot
First-Principles Study on Transition-Metal Dichalcogenide/BSe van der Waals Heterostructures: A Promising Water-Splitting Photocatalyst
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b05916openalex-snapshot
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b09445openalex-snapshot
On the Mechanism of Methyl Formate Production Initiated by Photooxidation of Methanol on Rutile TiO2(110) and TiO2(011)-(2 × 1) Surfaces
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c00972openalex-snapshot
Solvent Water Controls Photocatalytic Methanol Reforming
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c03726openalex-snapshot
Wavelength-Dependent Water Oxidation on Rutile TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c00234openalex-snapshot
Hydrogen Production on Pt/TiO2: Synergistic Catalysis between Pt Clusters and Interfacial Adsorbates
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c01100openalex-snapshot
Identifying Photocatalytic Active Sites of C 2 H 6 C–H Bond Activation on TiO 2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations
inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c02137openalex-snapshot
Surface Reconstruction-Induced Photocatalytic Methanol Reduction Reaction on a Rutile TiO2(001) Surface
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5b00429openalex-snapshot
Anatomy of the Photochemical Reaction: Excited-State Dynamics Reveals the C–H Acidity Mechanism of Methoxy Photo-oxidation on Titania
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5b01417openalex-snapshot
Coverage Dependence of Methanol Dissociation on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acs.jpclett.6b00015openalex-snapshot
Effect of the Hydrogen Bond in Photoinduced Water Dissociation: A Double-Edged Sword
inferred← citeshttps://doi.org/10.1021/acs.jpclett.6c00293openalex-snapshot
Interfacial Microenvironment Effects on the Mechanism of Photocatalytic Methanol Conversion for Hydrogen Evolution
inferred← citeshttps://doi.org/10.1021/acs.jpclett.8b02286openalex-snapshot
Defects, Adsorbates, and Photoactivity of Rutile TiO2 (110): Insight by First-Principles Calculations
inferred← citeshttps://doi.org/10.1021/acs.langmuir.3c00324openalex-snapshot
Adsorption-Controlled Wettability and Self-Cleaning of TiO2
inferred← citeshttps://doi.org/10.1021/acsami.0c20116openalex-snapshot
Cu Nanocluster-Loaded TiO2 Nanosheets for Highly Efficient Generation of CO-Free Hydrogen by Selective Photocatalytic Dehydrogenation of Methanol to Formaldehyde
inferred← citeshttps://doi.org/10.1021/acsami.3c01219openalex-snapshot
In Operando Photoswitching of Cu Oxidation States in Cu-Based Plasmonic Heterogeneous Photocatalysis for Efficient H2 Evolution
inferred← citeshttps://doi.org/10.1021/acsanm.1c01750openalex-snapshot
Solvent Effects on Photocatalytic Anaerobic Oxidation of Benzyl Alcohol over Pt-Loaded Defective SrTiO3 Nanoparticles
inferred← citeshttps://doi.org/10.1021/acscatal.0c00260openalex-snapshot
Surface Species in Photocatalytic Methanol Reforming on Pt/TiO 2 (110): Learning from Surface Science Experiments for Catalytically Relevant Conditions
inferred← citeshttps://doi.org/10.1021/acscatal.0c01615openalex-snapshot
Origin of Poisoning in Methanol Photoreforming on TiO 2 (110): The Importance of Thermal Back-Reaction Steps in Photocatalysis
inferred← citeshttps://doi.org/10.1021/acscatal.0c03930openalex-snapshot
Origin of the Adsorption-State-Dependent Photoactivity of Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/acscatal.4c03426openalex-snapshot
Specific Photocatalytic C–C Coupling of Benzyl Alcohol to Deoxybenzoin or Benzoin by Precise Control of C α –H Bond Activation or O–H Bond Activation by Adjusting the Adsorption Orientation of Hydrobenzoin Intermediates
inferred← citeshttps://doi.org/10.1021/acscatal.5b02694openalex-snapshot
Theoretical Study on the Mechanism of Photoreduction of CO 2 to CH 4 on the Anatase TiO 2 (101) Surface
inferred← citeshttps://doi.org/10.1021/acscatal.5c03149openalex-snapshot
The Role of Defects in the Photocatalytic Conversion of Alcohols on Rutile TiO 2 (110)
inferred← citeshttps://doi.org/10.1021/acscatal.5c03213openalex-snapshot
Facet-Dependent Photocatalytic Activity of Rutile and Anatase Single Crystals in the Presence and Absence of a Pt Cocatalyst
inferred← citeshttps://doi.org/10.1021/acscatal.5c07506openalex-snapshot
Methanol at Water–TiO 2 Interfaces: Free Energies of Water and Methanol Dissociation
inferred← citeshttps://doi.org/10.1021/acscatal.6b03348openalex-snapshot
Identifying the Role of Photogenerated Holes in Photocatalytic Methanol Dissociation on Rutile TiO 2 (110)
inferred← citeshttps://doi.org/10.1021/acscatal.7b02003openalex-snapshot
Methanol on Anatase TiO2 (101): Mechanistic Insights into Photocatalysis
inferred← citeshttps://doi.org/10.1021/acscatal.8b03359openalex-snapshot
Role of Pt Loading in the Photocatalytic Chemistry of Methanol on Rutile TiO2(110)
inferred← citeshttps://doi.org/10.1021/acscatal.8b03479openalex-snapshot
Thermal Control of Selectivity in Photocatalytic, Water-Free Alcohol Photoreforming
inferred← citeshttps://doi.org/10.1021/acscatal.8b04068openalex-snapshot
Photocatalysis with Reduced TiO2: From Black TiO2 to Cocatalyst-Free Hydrogen Production
inferred← citeshttps://doi.org/10.1021/acssuschemeng.1c01066openalex-snapshot
Controlling Radical Intermediates in Photocatalytic Conversion of Low-Carbon-Number Alcohols
inferred← citeshttps://doi.org/10.1021/ar4001108openalex-snapshot
Selective Aerobic Oxidation Mediated by TiO2 Photocatalysis
inferred← citeshttps://doi.org/10.1021/cr300315mopenalex-snapshot
Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO 2 (110)
inferred← citeshttps://doi.org/10.1021/cr500008uopenalex-snapshot
Titanium Dioxide-Based Nanomaterials for Photocatalytic Fuel Generations
inferred← citeshttps://doi.org/10.1021/ct500087vopenalex-snapshot
Quasiparticle Level Alignment for Photocatalytic Interfaces
inferred← citeshttps://doi.org/10.1021/ja3106797openalex-snapshot
Sequential Photo-oxidation of Methanol to Methyl Formate on TiO2(110)
inferred← citeshttps://doi.org/10.1021/ja400978ropenalex-snapshot
Photocatalytic Cross-Coupling of Methanol and Formaldehyde on a Rutile TiO2(110) Surface
inferred← citeshttps://doi.org/10.1021/ja4030963openalex-snapshot
Molecular Hydrogen Formation from Photocatalysis of Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/ja4036994openalex-snapshot
Level Alignment of a Prototypical Photocatalytic System: Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/ja404889vopenalex-snapshot
Atomic Structure and Special Reactivity Toward Methanol Oxidation of Vanadia Nanoclusters on TiO2(110)
inferred← citeshttps://doi.org/10.1021/ja411020topenalex-snapshot
Molecular Hydrogen Formation from Photocatalysis of Methanol on Anatase-TiO2(101)
inferred← citeshttps://doi.org/10.1021/ja4114598openalex-snapshot
Strong Photon Energy Dependence of the Photocatalytic Dissociation Rate of Methanol on TiO2(110)
inferred← citeshttps://doi.org/10.1021/jacs.5b04483openalex-snapshot
Localized Excitation of Ti 3+ Ions in the Photoabsorption and Photocatalytic Activity of Reduced Rutile TiO 2
inferred← citeshttps://doi.org/10.1021/jacs.6b08725openalex-snapshot
Ultrafast Dynamics of Photongenerated Holes at a CH 3 OH/TiO 2 Rutile Interface
inferred← citeshttps://doi.org/10.1021/jacs.6b11067openalex-snapshot
Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110)
inferred← citeshttps://doi.org/10.1021/jacs.7b05121openalex-snapshot
What Controls Photocatalytic Water Oxidation on Rutile TiO2(110) under Ultra-High-Vacuum Conditions?
inferred← citeshttps://doi.org/10.1021/jacsau.3c00771openalex-snapshot
Low-Temperature Oxidation of Methane on Rutile TiO2(110): Identifying the Role of Surface Oxygen Species
inferred← citeshttps://doi.org/10.1021/jp309925xopenalex-snapshot
Photocatalytic Dissociation of Ethanol on TiO2(110) by Near-Band-Gap Excitation
inferred← citeshttps://doi.org/10.1021/jp401613sopenalex-snapshot
Methyl Formate Production on TiO2(110), Initiated by Methanol Photocatalysis at 400 nm
inferred← citeshttps://doi.org/10.1021/jp4064774openalex-snapshot
Anion-Assisted Synthesis of TiO2 Nanocrystals with Tunable Crystal Forms and Crystal Facets and Their Photocatalytic Redox Activities in Organic Reactions
inferred← citeshttps://doi.org/10.1021/jp409605yopenalex-snapshot
GGA+U Study on the Mechanism of Photodecomposition of Water Adsorbed on Rutile TiO2(110) Surface: Free vs Trapped Hole
inferred← citeshttps://doi.org/10.1021/jp500721zopenalex-snapshot
Reactivity of the Defective Rutile TiO2 (110) Surfaces with Two Bridging-Oxygen Vacancies: Water Molecule as a Probe
inferred← citeshttps://doi.org/10.1021/jp5009187openalex-snapshot
Photoreaction Study of Methanol Adsorption Complexes on VO2(V2O5)n+ (n = 1–3) Clusters at 355 nm
inferred← citeshttps://doi.org/10.1021/jp5053908openalex-snapshot
Enhanced Photo-Oxidation of Formaldehyde on Highly Reduced o-TiO2(110)
inferred← citeshttps://doi.org/10.1021/jp505674gopenalex-snapshot
First-Principles Study of Methanol Oxidation into Methyl Formate on Rutile TiO 2 (110)
inferred← citeshttps://doi.org/10.1021/jp505854topenalex-snapshot
A Comparative Theoretical Study of Proton-Coupled Hole Transfer for H2O and Small Organic Molecules (CH3OH, HCOOH, H2CO) on the Anatase TiO2(101) Surface
inferred← citeshttps://doi.org/10.1021/jp5061733openalex-snapshot
Surface Chemistry of Formaldehyde on Rutile TiO2(110) Surface: Photocatalysis vs Thermal-Catalysis
inferred← citeshttps://doi.org/10.1021/jp511763wopenalex-snapshot
Recombination of Formaldehyde and Hydrogen Atoms on TiO2(110)
inferred← citeshttps://doi.org/10.1021/jp512798fopenalex-snapshot
In Situ Studies on the Dissociation and Photocatalytic Reactions of CH 3 OH on TiO 2 Thin Film by Sum Frequency Generation Vibrational Spectroscopy
inferred← citeshttps://doi.org/10.1021/jz401349qopenalex-snapshot
Photoinduced Decomposition of Formaldehyde on a TiO2(110) Surface, Assisted by Bridge-Bonded Oxygen Atoms
inferred← citeshttps://doi.org/10.1021/jz402053popenalex-snapshot
Band-Gap States of TiO2(110): Major Contribution from Surface Defects
inferred← citeshttps://doi.org/10.1038/ncomms11918openalex-snapshot
Operando NMR spectroscopic analysis of proton transfer in heterogeneous photocatalytic reactions
inferred← citeshttps://doi.org/10.1038/s41467-018-03543-yopenalex-snapshot
Visible light-driven C−H activation and C–C coupling of methanol into ethylene glycol
inferred← citeshttps://doi.org/10.1038/srep08893openalex-snapshot
Photo-catalytic Activities of Plant Hormones on Semiconductor Nanoparticles by Laser-Activated Electron Tunneling and Emitting
inferred← citeshttps://doi.org/10.1038/srep21990openalex-snapshot
Unravelling Site-Specific Photo-Reactions of Ethanol on Rutile TiO2(110)
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