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Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Fast Parallel Algorithms for Short-Range Molecular Dynamics
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Microscopic studies of oxidized highly oriented pyrolytic graphites
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Gasification of graphite studied by scanning tunneling microscopy
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Surface modification of highly oriented pyrolytic graphite by reaction with atomic nitrogen at high temperatures
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Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field
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Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfaces
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Hyperthermal atomic oxygen beam-induced etching of HOPG (0001) studied by X-ray photoelectron spectroscopy and scanning tunneling microscopy
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Temperature-dependent morphological evolution of HOPG graphite upon exposure to hyperthermal atoms
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Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials
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Electronegativity-equalization method for the calculation of atomic charges in molecules
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On the Chemical Nature of Graphene Edges: Origin of Stability and Potential for Magnetism in Carbon Materials
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Oxidation Unzipping of Stable Nanographenes into Joint Spin-Rich Fragments
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ReaxFF: A Reactive Force Field for Hydrocarbons
inferredcites →https://doi.org/10.1021/jp045960copenalex-snapshot
Spatially Anisotropic Etching of Graphite by Hyperthermal Atomic Oxygen
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Surface Precursors and Reaction Mechanisms for the Thermal Reduction of Graphene Basal Surfaces Oxidized by Atomic Oxygen
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Molecular-Dynamics-Based Study of the Collisions of Hyperthermal Atomic Oxygen with Graphene Using the ReaxFF Reactive Force Field
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Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential
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ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation
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Initiation Mechanisms and Kinetics of Pyrolysis and Combustion of JP-10 Hydrocarbon Jet Fuel
inferredcites →https://doi.org/10.1021/jp9000412openalex-snapshot
Theoretical and Experimental Studies of the Reactions between Hyperthermal O(3P) and Graphite: Graphene-Based Direct Dynamics and Beam-Surface Scattering Approaches
inferredcites →https://doi.org/10.1021/jp902051dopenalex-snapshot
Initial Stages of Oxidation on Graphitic Surfaces: Photoemission Study and Density Functional Theory Calculations
inferredcites →https://doi.org/10.1021/jp903362gopenalex-snapshot
Heterogeneous CO2 Evolution from Oxidation of Aromatic Carbon-Based Materials
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Structure−Reactivity Relationships for Graphene Nanoribbons
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Kinetics of Graphite Oxidation: Monolayer and Multilayer Etch Pits in HOPG Studied by STM
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Large-scale pattern growth of graphene films for stretchable transparent electrodes
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Structural evolution during the reduction of chemically derived graphene oxide
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Reactive and inelastic scattering dynamics of hyperthermal oxygen atoms on a saturated hydrocarbon surface
inferredcites →https://doi.org/10.1063/1.2715558openalex-snapshot
Unique chemical reactivity of a graphene nanoribbon’s zigzag edge
inferredcites →https://doi.org/10.1063/1.2770722openalex-snapshot
First principles study of magnetism in nanographenes
inferredcites →https://doi.org/10.1063/1.3469810openalex-snapshot
Molecular dynamics simulation of O2 sticking on Pt(111) using the ab initio based ReaxFF reactive force field
inferredcites →https://doi.org/10.1063/1.445198openalex-snapshot
The mode of attack of oxygen atoms on the basal plane of graphite
inferredcites →https://doi.org/10.1063/1.555759openalex-snapshot
Chemical Kinetic Data Base for Combustion Chemistry. Part I. Methane and Related Compounds
inferredcites →https://doi.org/10.1093/oso/9780198561958.001.0001openalex-snapshot
Molecular Gas Dynamics And The Direct Simulation Of Gas Flows
inferredcites →https://doi.org/10.1103/physrevlett.100.206803openalex-snapshot
Room-Temperature All-Semiconducting Sub-10-nm Graphene Nanoribbon Field-Effect Transistors
inferredcites →https://doi.org/10.1103/physrevlett.97.216803openalex-snapshot
Energy Gaps in Graphene Nanoribbons
inferredcites →https://doi.org/10.1103/physrevlett.98.206805openalex-snapshot
Energy Band-Gap Engineering of Graphene Nanoribbons
inferredcites →https://doi.org/10.1103/physrevlett.99.148303openalex-snapshot
Dynamic Transition in the Structure of an Energetic Crystal during Chemical Reactions at Shock Front Prior to Detonation
inferredcites →https://doi.org/10.1126/science.1125925openalex-snapshot
Electronic Confinement and Coherence in Patterned Epitaxial Graphene
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Nonequilibrium flow through porous thermal protection materials, Part I: Numerical methods
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