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A Systematic Density Functional Study of Molecular Oxygen Adsorption and Dissociation on the (001) Surface of Group IV−VI Transition Metal Carbides
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Outgoing claims: the papers this work cites, builds on, or argues with.
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New Catalysts for the Conversion of Methane to Synthesis Gas: Molybdenum and Tungsten Carbide
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Transition Metal Bimetallic Oxycarbides: Synthesis, Characterization, and Activity Studies
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Effect of interparticle interaction on the low temperature oxidation of CO over size-selected Au nanocatalysts supported on ultrathin TiC films
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The surface properties of TiC(001) and TiC(111) surfaces
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Structure analysis of oxygen adsorbed TiC(111) by impact collision ion scattering spectroscopy
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Oxygen chemisorption on transition-metal carbide (100) surfaces studied by X-ray photoelectron spectroscopy and low-energy He+ scattering
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Structural analysis of NbC(111)-O and NbC(111)-D surfaces
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Molecular adsorption of oxygen on transition-metal carbide
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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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The chemical and electronic properties of oxygen-modified C/Mo(110): a model system for molybdenum oxycarbides
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Overview of the TiC/TiO2 (rutile) interface
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High temperature oxidation of sintered TiC in an H2O-containing atmosphere
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Zirconia growth on zirconium carbide single crystals by oxidation
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Photoelectron spectroscopy study of oxygen adsorption on Mo2C(0001)
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Reactivity of Mo2C/Mo(100) toward oxygen: LEIS, AES, and XPS study
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Electronic structure of the Ti suboxide layer formed on a TiC(100) surface: Angle-resolved photoemission study
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Angle-resolved XPS investigations of the interaction between O2 and Mo2C/Mo(100)
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Novel selective etching reaction of carbon atoms on molybdenum carbide by oxygen at room temperature visualized by scanning tunneling microscopy
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CO and O2 adsorption on α-Mo2C (0001)
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Electronic structure of the Zr suboxide layer formed on a ZrC( 100 ) surface
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Coadsorption of oxygen and cesium on ZrC( 111 )
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Adsorption and decomposition of SO2 on TiC(0 0 1): An experimental and theoretical study
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Detailed spectroscopic studies of oxygen on metal carbide surfaces
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STM study of oxygen-adsorbed TiC(111) surface
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Properties of TiC thin films grown by pulsed laser deposition
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Catalytic hydrogenation of aqueous nitrate solutions in fixed-bed reactors
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Symmetrical synergism and the role of carbon in transition metal sulfide catalytic materials
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Small Cluster Models of the Surface Electronic Structure and Bonding Properties of Titanium Carbide, Vanadium Carbide, and Titanium Nitride
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Molecular Orbital View of Chemisorbed Carbon Monoxide
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Selective Oxidation of the TiC(001) Surface by O2: Determined by the Surface States
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Density Functional Theory of Water−Gas Shift Reaction on Molybdenum Carbide
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Role of Kinetics in the Selective Surface Oxidations of Transition Metal Carbides
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Water-Gas-Shift Reaction on Molybdenum Carbide Surfaces: Essential Role of the Oxycarbide
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Density Functional Study of the Adsorption of Atomic Oxygen on the (001) Surface of Early Transition-Metal Carbides
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Comparison of the group V and VI transition metal carbides for methane dry reforming and thermodynamic prediction of their relative stabilities
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Classification of chemical bonds based on topological analysis of electron localization functions
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A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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Interaction of sulfur dioxide with titanium–carbide nanoparticles and surfaces: A density functional study
inferredcites →https://doi.org/10.1063/1.1888370openalex-snapshot
A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
inferredcites →https://doi.org/10.1088/0953-8984/7/47/025openalex-snapshot
Positron studies of polycrystalline TiC
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-snapshot
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.7413openalex-snapshot
Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals
inferredcites →https://doi.org/10.1103/physrevb.72.075427openalex-snapshot
Interaction of oxygen with ZrC(001) and VC(001): Photoemission and first-principles studies
inferredcites →https://doi.org/10.1126/science.181.4099.547openalex-snapshot
Platinum-Like Behavior of Tungsten Carbide in Surface Catalysis
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Recent Advances in Carbon Dioxide Adsorption, Activation and Hydrogenation to Methanol using Transition Metal Carbides
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Steam Reforming on Transition-Metal Carbides from Density-Functional Theory
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Fundamentals of Methanol Synthesis on Metal Carbide Based Catalysts: Activation of CO2 and H2
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Gold-Based Catalysts for CO Oxidation, the Water-Gas Shift, and Desulfurization Processes
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Novel Au–TiC catalysts for CO oxidation and desulfurization processes
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Mechanisms of oxycarbide formation on ZrC, HfC, and TaC surfaces during early oxidation: Insights from computational simulations
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First-principles study on the structural and electronic properties of clean and atomic oxygen adsorbed ZrC(0 0 1) surface
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First-principles study on the surface oxidation behavior of ternary M6C6 (M6 = Zr5Ti, Zr5Ta, Hf5Ti, Hf5Ta) carbides
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First-principles study of oxygen diffusion in Ti/Zr/Ta-alloyed Hf6C5 carbides
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Catalyst size matters: Tuning the molecular mechanism of the water–gas shift reaction on titanium carbide based compounds
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Fe5C2 nanoparticles as low-cost HER electrocatalyst: the importance of Co substitution
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Mitigation of CO poisoning on functionalized palladium monolayer supported on titanium carbide
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Reactions of oxygen-containing molecules on transition metal carbides: Surface science insight into potential applications in catalysis and electrocatalysis
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When reconstruction comes around: Ni, Cu, and Au adatoms on δ-MoC(001)
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Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO2 hydrogenation
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Theoretical analysis of the adsorption of ammonia–borane and their dehydrogenation products on the (001) surface of TiC and ZrC
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Adsorption of nitrogen atom on the (001) surface of HfC and TaC: A first-principles study
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Oxidation and Equilibrium Morphology of Zirconium Carbide Low Index Surfaces Using DFT and Atomistic Thermodynamic Modeling
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First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction
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Systematic Theoretical Study of Ethylene Adsorption on δ-MoC(001), TiC(001), and ZrC(001) Surfaces
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A First-Principles Study of O2 Dissociation on Platinum Modified Titanium Carbide: A Possible Efficient Catalyst for the Oxygen Reduction Reaction
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Acetylene and Ethylene Adsorption on a β-Mo2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions
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Surface Activity of Early Transition-Metal Oxycarbides: CO2 Adsorption Case Study
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On the Capabilities of Transition Metal Carbides for Carbon Capture and Utilization Technologies
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Role of Au−C Interactions on the Catalytic Activity of Au Nanoparticles Supported on TiC(001) toward Molecular Oxygen Dissociation
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Density functional study on the mechanism for the highly active palladium monolayer supported on titanium carbide for the oxygen reduction reaction
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The Synthesis, Structure, Morphology Characterizations and Evolution Mechanisms of Nanosized Titanium Carbides and Their Further Applications
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