Pyrolysis mechanisms of graphene oxide revealed by ReaxFF molecular dynamics simulation
Yang Zhi, Yunjin Sun, Fei Ma, Yangfan Lu, Tianbao Zhao
Topics & Concepts
ReaxFFPyrolysisGrapheneMolecular dynamicsMaterials scienceOxideDesorptionAnnealing (glass)Chemical engineeringOxygenPyrolytic carbonAmorphous solidAmorphous carbonChemistryNanotechnologyComputational chemistryComposite materialPhysical chemistryCrystallographyOrganic chemistryAdsorptionMetallurgyInteratomic potentialEngineeringGraphene research and applicationsCarbon Nanotubes in CompositesThermal properties of materials