High-temperature pyrolysis behavior and structural evolution mechanism of graphene oxide: A ReaxFF molecular dynamics simulation
Yushan Bu, Feng Guo, Kejiang Li, Zeng Liang, Jianliang Zhang, Chunhe Jiang, Zhisheng Bi
Topics & Concepts
ReaxFFMolecular dynamicsGrapheneMaterials scienceOxideChemical physicsPyrolysisMechanism (biology)NanotechnologyComputational chemistryChemistryInteratomic potentialPhysicsOrganic chemistryMetallurgyQuantum mechanicsGraphene research and applicationsEnergetic Materials and CombustionCarbon Nanotubes in Composites