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Ab Initio Molecular Orbital Study of the Unified Mechanism and Pathways for Gas−Carbon Reactions

https://doi.org/10.1021/jp981518g
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What this work says

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

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Catalyzed Carbon Gasification Studied by Scanning Tunneling Microscopy and Atomic Force Microscopy
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The Active Surface Species in Alkali-Catalyzed Carbon Gasification: Phenolate (COM) Groups vs Clusters (Particles)
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Metal Catalyzed Gasification of Graphite
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Raman spectra of ground natural graphite
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Thermal desorption analysis of oxygen surface complexes on carbon
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Theoretical studies of interstitials in graphite
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TPD and XPS studies of O2, CO2, and H2O adsorption on clean polycrystalline graphite
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A method for the determination of active sites and true activation energies in carbon gasification: (II) Experimental results
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On the kinetics of carbon (Char) gasification: Reconciling models with experiments
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Molecular orbital study of pyrolytic carbons based on small cluster models
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Carbon and Coal Gasification-Science and Technology
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The mechanism of methane formation from the Reaction between graphite and hydrogen
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Chemisorption of hydrogen on different planes of graphite — A semi-empirical molecular orbital calculation
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Pre- and initial stages of epitaxy in alkali halide systems
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Heterogeneous kinetics of coal char gasification and combustion
inferredcites →https://doi.org/10.1016/b978-0-12-058001-9.50011-0openalex-snapshot
Infrared Spectra of Surface Species
inferredcites →https://doi.org/10.1016/s0360-0564(08)60418-6openalex-snapshot
Gas Reactions of Carbon
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Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts
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Intrinsic reaction kinetics of microporous carbons. 1. Noncatalyzed chars
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TPD study on steam-gasified and oxygen-chemisorbed coal chars
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TPD study on coal chars chemisorbed with oxygen-containing gases
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Activation energy distribution in temperature-programmed desorption: modeling and application to the soot oxygen system
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A transient kinetics study of char gasification in carbon dioxide and oxygen
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Effects of ion-exchanged calcium on brown coal tar composition as determined by Fourier transform infrared spectroscopy
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Interaction of carbon monoxide with carbon and carbon surface oxides
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Composition of heavy petroleums. 3. An improved boiling point-molecular weight relations. [Erratum to document cited in CA116(6):43869w]
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Unified Mechanism of Alkali and Alkaline Earth Catalyzed Gasification Reactions of Carbon by CO2 and H2O
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Strongly bonded oxygen in graphite: detection by high-temperature TPD and characterization
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A new surface oxygen complex on carbon: toward a unified mechanism for carbon gasification reactions
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Reactive and kinetic properties of carbon monoxide and carbon dioxide on a graphite surface
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THE IMPORTANCE OF ACTIVE SURFACE AREA IN THE CARBON-OXYGEN REACTION 1,2
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Kinetics and mechanism of oxidation of basal plane on graphite
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A study of graphite and intercalated graphite by scanning tunneling microscopy
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Mechanism of Single-Layer Graphite Oxidation: Evaluation by Electron Microscopy
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Energy-Dependent State-Density Corrugation of a Graphite Surface as Seen by Scanning Tunneling Microscopy

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

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DFT Study on the C–NO Coupling Reaction with Different Active Sites
inferred← citeshttps://doi.org/10.1080/00102202.2023.2251667openalex-snapshot
DFT Study of the Catalytic Mechanisms of NO Heterogeneous Reduction: The Effect of the Gasification Reaction
inferred← citeshttps://doi.org/10.1080/00102202.2024.2393651openalex-snapshot
Unraveling the Role of Intrinsic Carbon Defects for the Heterogeneous Reduction of NO with NH 3
inferred← citeshttps://doi.org/10.1103/physrevlett.102.166104openalex-snapshot
Two-Step Mechanism for Low-Temperature Oxidation of Vacancies in Graphene
inferred← citeshttps://doi.org/10.1109/tps.2009.2014769openalex-snapshot
Ring Opening of Aromatic Polymers by Remote Atmospheric-Pressure Plasma
inferred← citeshttps://doi.org/10.1134/s002247661305003xopenalex-snapshot
Adsorption behavior of Co and C2H2 on the graphite basal surface: A quantum chemistry study
inferred← citeshttps://doi.org/10.1139/cjc-2024-0087openalex-snapshot
Reaction mechanism of catalytic gasification by calcium-based catalysts and oxidized coal residues in coalfield fire zones
inferred← citeshttps://doi.org/10.1140/epje/i2018-11718-4openalex-snapshot
A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug
inferred← citeshttps://doi.org/10.1155/2016/1735929openalex-snapshot
Study on NO Heterogeneous Reduction Mechanism under Gasification Condition
inferred← citeshttps://doi.org/10.1515/revce-2017-0113openalex-snapshot
A comprehensive review on physical activation of biochar for energy and environmental applications
inferred← citeshttps://doi.org/10.1631/jzus.a0820345openalex-snapshot
Quantum chemical study on the catalytic mechanism of Na/K on NO-char heterogeneous reactions during the coal reburning process
inferred← citeshttps://doi.org/10.2139/ssrn.6628921openalex-snapshot
DFT study on the CO2 catalytic mechanism of K ion for aldehyde-bearing edge models of coal char
inferred← citeshttps://doi.org/10.2172/1004874openalex-snapshot
Mercury Speciation in Coal-Fired Power Plant Flue Gas Experimental Studies and Model Development
inferred← citeshttps://doi.org/10.2172/1004940openalex-snapshot
Mercury Speciation in Coal-Fired Power Plant Flue Gas-Experimental Studies and Model Development
inferred← citeshttps://doi.org/10.2514/6.2022-1610openalex-snapshot
Atomistic Multi-Lattice Kinetic Monte Carlo (KMC) Modeling of Hyperthermal Oxidation of Multi-Layer Graphene
inferred← citeshttps://doi.org/10.3155/1047-3289.61.4.418openalex-snapshot
Heterogeneous Mercury Reaction Chemistry on Activated Carbon
inferred← citeshttps://doi.org/10.3390/ma16030981openalex-snapshot
Ab Initio Investigation of the Adsorption of CO2 Molecules on Defect Sites of Graphene Surfaces: Role of Local Vacancy Structures
inferred← citeshttps://doi.org/10.48130/prkm-0025-0001openalex-snapshot
Influence of maturity on the oxidation kinetics and nanostructure evolution of soot sampled from a propane coflow diffusion flame
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