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A Periodic Density Functional Theory Study of the Dehydrogenation of Methanol over Pt(111)
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Introduction to Solid State Physics
What points at this work
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Molecular adsorption and methanol synthesis on the oxidized Cu/ZnO(0001) surface
inferred← citeshttps://doi.org/10.1016/j.susc.2015.12.008openalex-snapshot
Energetics of methanol and formic acid oxidation on Pt(111): Mechanistic insights from adsorption calorimetry
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.10.043openalex-snapshot
Theoretical investigation of adsorption of organic molecules onto Fe(110) surface
inferred← citeshttps://doi.org/10.1016/s0009-2614(03)01144-8openalex-snapshot
Comparative study of dehydrogenation of methanol at Pt(1 1 1)/water and Pt(1 1 1)/vacuum interfaces
inferred← citeshttps://doi.org/10.1016/s0013-4686(02)00334-1openalex-snapshot
UHV and electrochemical studies of CO and methanol adsorbed at platinum/ruthenium surfaces, and reference to fuel cell catalysis
inferred← citeshttps://doi.org/10.1016/s0021-9517(03)00032-0openalex-snapshot
Aqueous-phase reforming of methanol and ethylene glycol over alumina-supported platinum catalysts
inferred← citeshttps://doi.org/10.1016/s0360-0564(06)51004-1openalex-snapshot
Sum Frequency Generation and Polarization–Modulation Infrared Reflection Absorption Spectroscopy of Functioning Model Catalysts from Ultrahigh Vacuum to Ambient Pressure
inferred← citeshttps://doi.org/10.1016/s1003-9953(10)60158-2openalex-snapshot
Why is metallic Pt the best catalyst for methoxy decomposition?
inferred← citeshttps://doi.org/10.1016/s1380-7323(04)80024-4openalex-snapshot
A theory-guided design of bimetallic nanoparticle catalysts for fuel cell applications
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c00471openalex-snapshot
Theoretical Study on the O–H Fracture of Methanol on PtnCu4–n (n = 1, 2, 3) Catalysts with Different Coverages
inferred← citeshttps://doi.org/10.1021/acs.jpcc.0c03717openalex-snapshot
Identification of the Active Sites in the Dehydrogenation of Methanol on Pt/Al2O3 Catalysts
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b02333openalex-snapshot
Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and Molecular Dynamics
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5b06671openalex-snapshot
Competitive Paths for Methanol Decomposition on Ruthenium: A DFT Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c05366openalex-snapshot
Selective Oxidation of Methanol to Formaldehyde on Co(10–115)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b02215openalex-snapshot
Methanol Activation Catalyzed by Small Earth-Alkali Mixed Silicon Clusters Sim–nMn with M = Be, Mg, Ca and m = 3–4, n = 0–1
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b03218openalex-snapshot
Density Functional Theory Study of the Mechanism of Formaldehyde Oxidation on Mn-Doped Ceria
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b01114openalex-snapshot
Mechanism of Methanol Decomposition on the Pt3Ni(111) Surface: DFT Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.7b05545openalex-snapshot
Solvation Effects on Methanol Decomposition on Pd(111), Pt(111), and Ru(0001)
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b09415openalex-snapshot
Understanding Surface Catalyzed Decomposition Reactions Using a Chemical Pathway Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpcc.9b00727openalex-snapshot
Methanol Decomposition on Co(0001): Influence of the Cobalt Oxidation State on Reactivity
inferred← citeshttps://doi.org/10.1021/acs.langmuir.2c02281openalex-snapshot
A Systematic Search for the Adsorption Motif of All Stereoisomers of Propylene Glycol on a Palladium(111) Surface for Fuel Cell Applications
inferred← citeshttps://doi.org/10.1021/acsami.6b02932openalex-snapshot
Methanol Oxidation on Pt 3 Sn(111) for Direct Methanol Fuel Cells: Methanol Decomposition
inferred← citeshttps://doi.org/10.1021/acsami.8b09053openalex-snapshot
Active Methanol Oxidation Reaction by Enhanced CO Tolerance on Bimetallic Pt/Ir Electrocatalysts Using Electronic and Bifunctional Effects
inferred← citeshttps://doi.org/10.1021/acscatal.0c04328openalex-snapshot
Reaction Kinetics and Mechanism for the Catalytic Reduction of Propionic Acid over Supported ReOx Promoted by Pd
inferred← citeshttps://doi.org/10.1021/acscatal.3c03954openalex-snapshot
Elucidating the Reactivity of Oxygenates on Single-Atom Alloy Catalysts
inferred← citeshttps://doi.org/10.1021/acscatal.6b00931openalex-snapshot
The Importance of the Electrochemical Environment in the Electro-Oxidation of Methanol on Pt(111)
inferred← citeshttps://doi.org/10.1021/acscatal.6c00316openalex-snapshot
Methanol Oxidation as a Diagnostic for OH Adsorption on Pt
inferred← citeshttps://doi.org/10.1021/acsomega.0c04131openalex-snapshot
Substrate Effect of Platinum-Decorated Carbon on Enhanced Hydrogen Oxidation in PEMFC
inferred← citeshttps://doi.org/10.1021/acsomega.7b00808openalex-snapshot
Comparative Study of Methanol Activation by Different Small Mixed Silicon Clusters Si2M with M = H, Li, Na, Cu, and Ag
inferred← citeshttps://doi.org/10.1021/acsomega.7b01725openalex-snapshot
New Insights into the Pt-Catalyzed CH3OH Oxidation Mechanism: First-Principle Considerations on Thermodynamics, Kinetics, and Reversible Potentials
inferred← citeshttps://doi.org/10.1021/bk-2013-1133.ch008openalex-snapshot
Understanding Electrocatalytic Activity Enhancement of Bimetallic Particles to Ethanol Electro-Oxidation: Ethanol Adsorption and Decomposition on PtnM (n=6 and 9; M=Pt, Ru, and Sn)
inferred← citeshttps://doi.org/10.1021/cs200370gopenalex-snapshot
C–H versus O–H Bond Dissociation for Alcohols on a Rh(111) Surface: A Strong Assistance from Hydrogen Bonded Neighbors
inferred← citeshttps://doi.org/10.1021/cs500082gopenalex-snapshot
Chemoselective Hydrogenation of Nitrostyrene to Aminostyrene over Pd- and Rh-Based Intermetallic Compounds
inferred← citeshttps://doi.org/10.1021/cs501698wopenalex-snapshot
Density Functional Theory Comparison of Methanol Decomposition and Reverse Reactions on Metal Surfaces
inferred← citeshttps://doi.org/10.1021/cs5019088openalex-snapshot
First-Principles Study of Structure Sensitivity of Ethylene Glycol Conversion on Platinum
inferred← citeshttps://doi.org/10.1021/ie070322copenalex-snapshot
A Catalytic Reaction Mechanism for Methane Partial Oxidation at Short Contact Times, Reforming, and Combustion, and for Oxygenate Decomposition and Oxidation on Platinum
inferred← citeshttps://doi.org/10.1021/ie301792gopenalex-snapshot
Density Functional Theory Study of Methane Oxidation and Reforming on Pt(111) and Pt(211)
inferred← citeshttps://doi.org/10.1021/ja037700zopenalex-snapshot
Competitive Paths for Methanol Decomposition on Pt(111)
inferred← citeshttps://doi.org/10.1021/ja056689vopenalex-snapshot
Chemo−Regioselectivity in Heterogeneous Catalysis: Competitive Routes for CO and CC Hydrogenations from a Theoretical Approach
inferred← citeshttps://doi.org/10.1021/ja078322ropenalex-snapshot
How the C−O Bond Breaks during Methanol Decomposition on Nanocrystallites of Palladium Catalysts
inferred← citeshttps://doi.org/10.1021/ja207551fopenalex-snapshot
Formation of C–C and C–O Bonds and Oxygen Removal in Reactions of Alkanediols, Alkanols, and Alkanals on Copper Catalysts
inferred← citeshttps://doi.org/10.1021/ja307465uopenalex-snapshot
Energetics of Adsorbed Methanol and Methoxy on Pt(111) by Microcalorimetry
inferred← citeshttps://doi.org/10.1021/ja801648hopenalex-snapshot
Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network
inferred← citeshttps://doi.org/10.1021/ja809070gopenalex-snapshot
Experimental and Theoretical Analysis of Asymmetric Induction in Heterogeneous Catalysis: Diastereoselective Hydrogenation of Chiral α-Hydroxyketones over Pt Catalyst
inferred← citeshttps://doi.org/10.1021/jacs.9b09431openalex-snapshot
Efficient Hydrogen Production from Methanol Using a Single-Site Pt1/CeO2 Catalyst
inferred← citeshttps://doi.org/10.1021/jp021841qopenalex-snapshot
Adsorption and Desorption of Methanol on Pd (111) and on a Pd/V Surface Alloy
inferred← citeshttps://doi.org/10.1021/jp034291kopenalex-snapshot
Methanol Oxidation on Stepped Pt[ n (111) × (110)] Electrodes: A Chronoamperometric Study
inferred← citeshttps://doi.org/10.1021/jp0444058openalex-snapshot
Supplement to the Theory of Normal Pulse Voltammetry and Its Application to the Kinetic Study of Methanol Oxidation on a Polycrystalline Platinum Electrode
inferred← citeshttps://doi.org/10.1021/jp045470kopenalex-snapshot
In Situ ATR-IR Spectroscopic and Reaction Kinetics Studies of Water−Gas Shift and Methanol Reforming on Pt/Al2O3 Catalysts in Vapor and Liquid Phases
inferred← citeshttps://doi.org/10.1021/jp0463969openalex-snapshot
Kinetic Mechanism of Methanol Decomposition on Ni(111) Surface: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/jp048149aopenalex-snapshot
Methanol Dehydrogenation and Formation of Carbonaceous Overlayers on Pd(111) Studied by High-Pressure SFG and XPS Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp0501188openalex-snapshot
Mechanisms of Methanol Decomposition on Platinum: A Combined Experimental and ab Initio Approach
inferred← citeshttps://doi.org/10.1021/jp052479topenalex-snapshot
Hierarchical Multiscale Mechanism Development for Methane Partial Oxidation and Reforming and for Thermal Decomposition of Oxygenates on Rh
inferred← citeshttps://doi.org/10.1021/jp053855copenalex-snapshot
In Situ Studies of Methanol Decomposition and Oxidation on Pd(111) by PM-IRAS and XPS Spectroscopy
inferred← citeshttps://doi.org/10.1021/jp061410yopenalex-snapshot
Comparative Theoretical Study of Formaldehyde Decomposition on PdZn, Cu, and Pd Surfaces
inferred← citeshttps://doi.org/10.1021/jp062975xopenalex-snapshot
A Systematic Density Functional Theory Study of the C−N Bond Cleavage of Methylamine on Metals
inferred← citeshttps://doi.org/10.1021/jp0649495openalex-snapshot
Effect of Pre-covered Oxygen on the Dehydrogenation Reactions over Copper Surface: A Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/jp065645lopenalex-snapshot
Is the Preadsorbed Sulfur Atom Always Acting as a Poison for the Surface Reaction?
inferred← citeshttps://doi.org/10.1021/jp068328nopenalex-snapshot
DEMS Study on Methanol Oxidation at Poly- and Monocrystalline Platinum Electrodes: The Effect of Anion, Temperature, Surface Structure, Ru Adatom, and Potential
inferred← citeshttps://doi.org/10.1021/jp0686184openalex-snapshot
First Principle Study of Ethanol Adsorption and Formation of Hydrogen Bond on Rh(111) Surface
inferred← citeshttps://doi.org/10.1021/jp070539kopenalex-snapshot
Methanol Decomposition and Oxidation on Ir(111)
inferred← citeshttps://doi.org/10.1021/jp0711139openalex-snapshot
Methanol and Methoxide Decomposition on Silver
inferred← citeshttps://doi.org/10.1021/jp071216ropenalex-snapshot
A Crucial Step to Platinum Nanocrystals with Special Surfaces: Control of Aquo/Chloro Ligand Exchange in Aqueous PtCl62-Solution
inferred← citeshttps://doi.org/10.1021/jp074923topenalex-snapshot
Selectivity of Direct Ethanol Fuel Cell Dictated by a Unique Partial Oxidation Channel
inferred← citeshttps://doi.org/10.1021/jp0763735openalex-snapshot
Surface Chemistry of Methanol on Clean and Atomic Oxygen Pre-Covered Au(111)
inferred← citeshttps://doi.org/10.1021/jp0766353openalex-snapshot
Azomethane Decomposition Catalyzed by Pt(111): An Example of Anti-Brönsted−Evans−Polanyi Behavior
inferred← citeshttps://doi.org/10.1021/jp104949wopenalex-snapshot
Transformations of Ethylene on the Pd(111) Surface: A Density Functional Study
inferred← citeshttps://doi.org/10.1021/jp107678dopenalex-snapshot
First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111)
inferred← citeshttps://doi.org/10.1021/jp204704eopenalex-snapshot
Methanol Oxidation on Monolayer Cu/Ru(0001)
inferred← citeshttps://doi.org/10.1021/jp209506dopenalex-snapshot
Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces
inferred← citeshttps://doi.org/10.1021/jp301364wopenalex-snapshot
Formaldehyde Decomposition and Coupling on V(100): A First-Principles Study
inferred← citeshttps://doi.org/10.1021/jp307760aopenalex-snapshot
Decomposition of Methanol on Clean and Oxygen-Predosed V(100): A First-Principles Study
inferred← citeshttps://doi.org/10.1021/jp310600qopenalex-snapshot
Influence of Step Defects on Methanol Decomposition: Periodic Density Functional Studies on Pd(211) and Kinetic Monte Carlo Simulations
inferred← citeshttps://doi.org/10.1021/jp311227fopenalex-snapshot
Decomposition and Oxidation of Methanol on Ir(111): A First-Principles Study
inferred← citeshttps://doi.org/10.1021/jp3122177openalex-snapshot
Mechanistic Study of Methanol Decomposition and Oxidation on Pt(111)
inferred← citeshttps://doi.org/10.1021/jp404509vopenalex-snapshot
CO Hydrogenation on Pd(111): Competition between Fischer–Tropsch and Oxygenate Synthesis Pathways
inferred← citeshttps://doi.org/10.1021/jp503056uopenalex-snapshot
Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)
inferred← citeshttps://doi.org/10.1021/jp505662xopenalex-snapshot
Benchmark Study on Methanol C–H and O–H Bond Activation by Bare [Fe IV O] 2+
inferred← citeshttps://doi.org/10.1021/jp710484bopenalex-snapshot
Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface
inferred← citeshttps://doi.org/10.1021/jp801591zopenalex-snapshot
Density Functional Theory Study of the Adsorption of Formaldehyde on Pd4 and on Pd4/γ-Al2O3 Clusters
inferred← citeshttps://doi.org/10.1021/jp8033177openalex-snapshot
The Nature of the Interactions between Pt4Cluster and the Adsorbates·H,·OH, and H2O
inferred← citeshttps://doi.org/10.1021/jp808211qopenalex-snapshot
Potential Energy Surface of Methanol Decomposition on Cu(110)
inferred← citeshttps://doi.org/10.1021/jp810811bopenalex-snapshot
Density Functional Investigation of Methanol Dehydrogenation on Pd(111)
inferred← citeshttps://doi.org/10.1021/jp9062669openalex-snapshot
Understanding Electrocatalytic Activity Enhancement of Bimetallic Particles to Ethanol Electro-oxidation. 1. Water Adsorption and Decomposition on PtnM (n = 2, 3, and 9; M = Pt, Ru, and Sn)
inferred← citeshttps://doi.org/10.1021/jp907399jopenalex-snapshot
Effect of Pt Clusters on Methanol Adsorption and Dissociation over Perfect and Defective Anatase TiO2(101) Surface
inferred← citeshttps://doi.org/10.1021/jp907772copenalex-snapshot
Density Functional Studies of Methanol Decomposition on Subnanometer Pd Clusters
inferred← citeshttps://doi.org/10.1021/jz401450vopenalex-snapshot
Electronic Effect in Methanol Dehydrogenation on Pt Surfaces: Potential Control during Methanol Electrooxidation
inferred← citeshttps://doi.org/10.1021/la047342topenalex-snapshot
Adsorption of Formaldehyde on Pt(111) and Pt(100) Electrodes: Cyclic Voltammetry and Scanning Tunneling Microscopy
inferred← citeshttps://doi.org/10.1021/la049377zopenalex-snapshot
CH3O Decomposition on PdZn(111), Pd(111), and Cu(111). A Theoretical Study
inferred← citeshttps://doi.org/10.1021/la0615995openalex-snapshot
Methanol Dehydrogenation and Oxidation on Pt(111) in Alkaline Solutions
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