Thermal behaviour, kinetics and mechanisms of CO2 interactions with graphene: An atomic scale reactive molecular dynamic study
Kejiang Li, Rita Khanna, Hang Zhang, Alberto N. Conejo, Shufang Ma, Zeng Liang, Guang‐Yue Li, Mansoor Barati, Jianliang Zhang
Topics & Concepts
KineticsGrapheneDangling bondMolecular dynamicsCarbon fibersChemical physicsAdsorptionAtmospheric temperature rangeMaterials scienceMoleculeChemical kineticsAtomic unitsThermalChemistryChemical engineeringThermodynamicsPhysical chemistryNanotechnologyComputational chemistryOrganic chemistryHydrogenComposite numberComposite materialEngineeringQuantum mechanicsPhysicsGraphene research and applicationsEnergetic Materials and CombustionCarbon Nanotubes in Composites