Evolution of layer distance and structural arrangement of graphene oxide with various oxygen content and functional types in low temperature: A ReaxFF molecular dynamics simulation
Yushan Bu, Kejiang Li, Zixing Xiong, Zeng Liang, Jianliang Zhang, Zhisheng Bi, Hang Zhang
Topics & Concepts
ReaxFFGrapheneOxideMaterials scienceMolecular dynamicsStackingOxygenGraphiteChemical physicsGraphene oxide paperNanotechnologyDensity functional theoryChemical engineeringComposite materialComputational chemistryChemistryOrganic chemistryEngineeringMetallurgyInteratomic potentialGraphene research and applicationsGraphene and Nanomaterials ApplicationsAdvancements in Battery Materials