Exploratory Direct Dynamics Simulations of ³O₂ Reaction with Graphene at High Temperatures

Engineering & Materials Science

• Graphene 100%
• Computer simulation 46%
• Temperature 33%
• Vacancies 26%
• Atoms 20%
• Chemisorption 19%
• Ethers 15%
• Nucleation 13%
• Graphite 12%
• Molecular beams 11%
• Electronic states 10%
• Carbon 9%
• Aromatic hydrocarbons 9%
• Defects 8%
• Benzene 7%
• Benchmarking 6%
• Oxidation 5%
• Oxygen 5%
• Trajectories 4%
• Experiments 2%

Chemistry

• Graphene 60%
• Simulation 53%
• Collision 35%
• Unrestricted Hartree-Fock Calculation 21%
• Nucleation 11%
• Graphite 10%
• Hartree-Fock Method 9%
• Ether 9%
• Molecular Beam 8%
• Semiquinone 8%
• Time 7%
• Surface 6%
• Energy 6%
• Carbon Atom 6%
• Benzene Ring 6%
• Arene 5%
• Oxygen Atom 5%
• Electronic State 5%
• Dissociation 5%
• Oxidation Reaction 3%

Physics & Astronomy

• graphene 69%
• simulation 32%
• collisions 21%
• ethers 14%
• chemisorption 14%
• graphite 11%
• nucleation 9%
• carbon 8%
• defects 7%
• deactivation 7%
• oxygen atoms 6%
• molecular beams 6%
• atoms 6%
• reactivity 6%
• benzene 6%
• proximity 6%
• hydrocarbons 6%
• dissociation 5%
• trajectories 5%
• trends 4%
• oxidation 4%
• rings 4%
• products 4%
• energy 3%
• electronics 3%