Insights into the surface oxidation modification mechanism of nano-diamond: An atomistic understanding from ReaxFF simulations
Song Yuan, Xiaoguang Guo, Penghui Li, Qian Mao, Menggang Lu, Zhuji Jin, Renke Kang, Dongming Guo
Topics & Concepts
ReaxFFDiamondAdsorptionMolecular dynamicsMaterials scienceNano-Dissociation (chemistry)Surface modificationChemical physicsChemical engineeringNanotechnologyPhysical chemistryChemistryComputational chemistryComposite materialInteratomic potentialEngineeringDiamond and Carbon-based Materials ResearchGraphene research and applicationsCarbon Nanotubes in Composites