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First-Principles Microkinetic Modeling Unravelling the Performance of Edge-Decorated Nanocarbons for Hydrogen Production from Methane

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

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Applications of Machine Learning in Alloy Catalysts: Rational Selection and Future Development of Descriptors
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The Optimally Performing Fischer–Tropsch Catalyst
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Nitrogen‐Doped Carbon Nanotube Arrays for High‐Efficiency Electrochemical Reduction of CO 2 : On the Understanding of Defects, Defect Density, and Selectivity
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Partial Hessian vibrational analysis: the localization of the molecular vibrational energy and entropy
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Variation in Catalytic Activity of Carbon Black during Methane Decomposition: Active Site Estimations from Surface Structural Characteristics
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Coprecipitated iron-containing catalysts (Fe-Al2O3, Fe-Co-Al2O3, Fe-Ni-Al2O3) for methane decomposition at moderate temperatures
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Catalytic activity of several carbons with different structures for methane decomposition and by-produced carbons
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Edge-enriched graphene with boron and nitrogen co-doping for enhanced oxygen reduction reaction
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Catalytic characteristics of specialty carbon blacks in decomposition of methane for hydrogen production
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Migration and desorption of hydrogen atom and molecule on/from graphene
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Kinetic study of the thermal decomposition of methane using carbonaceous catalysts
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Single catalyst particle growth modeling in thermocatalytic decomposition of methane
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Rational design of heterogeneous catalysts by breaking and rebuilding scaling relations
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Analytical review of the catalytic cracking of methane
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Hydrogen production by catalytic methane decomposition: Carbon materials as catalysts or catalyst supports
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Methane decomposition to pure hydrogen and carbon nano materials: State-of-the-art and future perspectives
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Simultaneous production of hydrogen and carbon nanotubes from biogas: On the design of combined process
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Catalysis mechanism of Pd-promoted γ-alumina in the thermal decomposition of methane to hydrogen: A density functional theory study
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Structural Regulation with Atomic-Level Precision: From Single-Atomic Site to Diatomic and Atomic Interface Catalysis
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Green, Turquoise, Blue, or Grey? Environmentally friendly Hydrogen Production in Transforming Energy Systems
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Catalytic methane decomposition to boost the energy transition: Scientific and technological advancements
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A generalized synchronous transit method for transition state location
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Low Temperature Activation of Methane on Metal-Oxides and Complex Interfaces: Insights from Surface Science
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Direct Conversion of Methane to Value-Added Chemicals over Heterogeneous Catalysts: Challenges and Prospects
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Methane Pyrolysis for Zero-Emission Hydrogen Production: A Potential Bridge Technology from Fossil Fuels to a Renewable and Sustainable Hydrogen Economy
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Methane Catalytic Pyrolysis by Microwave and Thermal Heating over Carbon Nanotube-Supported Catalysts: Productivity, Kinetics, and Energy Efficiency
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Progress in Nonoxidative Dehydroaromatization of Methane in the Last 6 Years
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Site-Specific Product Selectivity of Stepped Pt Surfaces for Methane Dehydrogenation
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Silica-Confined Two-Atom Single-Cluster Catalyst for Direct Nonoxidative Conversion of Methane: A DFT Study
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Equilibrium Constants and Rate Constants for Adsorbates: Two-Dimensional (2D) Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models
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Nitrogen-Doped Graphene on Copper: Edge-Guided Doping Process and Doping-Induced Variation of Local Work Function
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Quantum Tunnelling Driven H 2 Formation on Graphene
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Mechanistic Insight into Hydrocarbon Synthesis via CO2 Hydrogenation on χ-Fe5C2 Catalysts
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Resolving the Mechanism Complexity of Oxidative Dehydrogenation of Hydrocarbons on Nanocarbon by Microkinetic Modeling
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Machine Learning for Atomic Simulation and Activity Prediction in Heterogeneous Catalysis: Current Status and Future
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Theoretical Insights into Dual-Metal-Site Catalysts for the Nonoxidative Coupling of Methane
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Nitrogen and Phosphorus Dual-Doped Graphene/Carbon Nanosheets as Bifunctional Electrocatalysts for Oxygen Reduction and Evolution
inferredcites →https://doi.org/10.1021/acscatal.6b01087openalex-snapshot
A Viewpoint on Direct Methane Conversion to Ethane and Ethylene Using Oxidative Coupling on Solid Catalysts
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The Degree of Rate Control: A Powerful Tool for Catalysis Research
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Nanoceria-Supported Single-Atom Platinum Catalysts for Direct Methane Conversion
inferredcites →https://doi.org/10.1021/acscatal.9b01833openalex-snapshot
Methane Pyrolysis with a Molten Cu–Bi Alloy Catalyst
inferredcites →https://doi.org/10.1021/acsnano.5b03476openalex-snapshot
Rotating Anisotropic Crystalline Silicon Nanoclusters in Graphene
inferredcites →https://doi.org/10.1021/acsnano.5b06050openalex-snapshot
Elongated Silicon–Carbon Bonds at Graphene Edges
inferredcites →https://doi.org/10.1021/ar9500980openalex-snapshot
Eley−Rideal Surface Chemistry: Direct Reactivity of Gas Phase Atomic Hydrogen with Adsorbed Species
inferredcites →https://doi.org/10.1021/cs3005264openalex-snapshot
“Turning Over” Definitions in Catalytic Cycles
inferredcites →https://doi.org/10.1021/jacs.7b10385openalex-snapshot
Design of N-Coordinated Dual-Metal Sites: A Stable and Active Pt-Free Catalyst for Acidic Oxygen Reduction Reaction
inferredcites →https://doi.org/10.1021/nn504471mopenalex-snapshot
Extended Klein Edges in Graphene
inferredcites →https://doi.org/10.1038/s41563-021-00954-zopenalex-snapshot
High-performance organic pseudocapacitors via molecular contortion
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Tailoring magnetism in silicon-doped zigzag graphene edges
inferredcites →https://doi.org/10.1039/c6cc07217hopenalex-snapshot
Edge-selectively phosphorus-doped few-layer graphene as an efficient metal-free electrocatalyst for the oxygen evolution reaction
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Silicon-doped graphene edges: an efficient metal-free catalyst for the reduction of CO 2 into methanol and ethanol
inferredcites →https://doi.org/10.1039/c9nj04723aopenalex-snapshot
Theoretical research on a coke-resistant catalyst for the partial oxidation of methane: Pt/Cu single-atom alloys
inferredcites →https://doi.org/10.1039/d1sc02105bopenalex-snapshot
Recent advances in heterogeneous catalysis for the nonoxidative conversion of methane
inferredcites →https://doi.org/10.1063/1.472933openalex-snapshot
Rationale for mixing exact exchange with density functional approximations
inferredcites →https://doi.org/10.1088/0953-8984/14/11/301openalex-snapshot
First-principles simulation: ideas, illustrations and the CASTEP code
inferredcites →https://doi.org/10.1088/2053-1583/abf624openalex-snapshot
Chemistry at graphene edges in the electron microscope
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-snapshot
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.41.7892openalex-snapshot
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
inferredcites →https://doi.org/10.1103/physrevlett.102.073005openalex-snapshot
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
inferredcites →https://doi.org/10.1126/science.1253150openalex-snapshot
Direct, Nonoxidative Conversion of Methane to Ethylene, Aromatics, and Hydrogen
inferredcites →https://doi.org/10.1126/science.aan8285openalex-snapshot
Energy storage: The future enabled by nanomaterials
inferredcites →https://doi.org/10.1134/s2070050417040067openalex-snapshot
Prospects for the direct catalytic conversion of methane into useful chemical products
inferredcites →https://doi.org/10.1524/zkri.220.5.567.65075openalex-snapshot
First principles methods using CASTEP
inferredcites →https://doi.org/10.3390/en15072573openalex-snapshot
Decarbonizing Natural Gas: A Review of Catalytic Decomposition and Carbon Formation Mechanisms
inferredcites →https://doi.org/10.5194/acp-21-15725-2021openalex-snapshot
Technical note: Adsorption and desorption equilibria from statistical thermodynamics and rates from transition state theory

What points at this work

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

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