First-principles investigation on the bonding mechanisms of two-dimensional carbon materials on the transition metals surfaces
Xin Zhang, Shenghui Sun, Shaoqing Wang
Abstract
hybridization after graphyne adsorbs on some metals. These research results are obtained through a comprehensive analysis of the adsorption configuration, the differential charge density, and the projected of states from the first-principles calculations in the present study.
Topics & Concepts
GraphyneCovalent bondGrapheneTransition metalAtom (system on chip)Carbon fibersMetalChemical bondElectronMaterials scienceMetallic bondingCrystallographyChemistryMolecular orbitalChemical physicsAtomic physicsNanotechnologyMoleculeOrganic chemistryPhysicsComposite numberCatalysisComposite materialComputer scienceEmbedded systemQuantum mechanicsGraphene research and applicationsBoron and Carbon Nanomaterials ResearchAdvancements in Battery Materials