Combined first-principles and machine learning study of the initial growth of carbon nanomaterials on metal surfaces
Rong Chen, Fu Liu, Yuchao Tang, Yanjie Liu, Ziqiang Dong, Zhen‐Yan Deng, Xinluo Zhao, Yi Liu
Topics & Concepts
ElectronegativityAdsorptionCatalysisHydrocarbonNanomaterialsAcetyleneBenzeneMaterials scienceTransition metalMoleculeValence (chemistry)AlloyMetalPhysical chemistryCarbonizationChemical engineeringCarbon fibersBinding energyChemistryNanotechnologyOrganic chemistryMetallurgyComposite materialAtomic physicsComposite numberPhysicsEngineeringCarbon Nanotubes in CompositesMachine Learning in Materials ScienceGraphene research and applications