ACS Nano · 2018 · 44 citations · 56 references
Natural SciencesMaterials EngineeringMaterials ScienceCondensed Matter PhysicsCrystal StructureSolid State PhysicsAb Initio MethodsCluster ChemistryCluster CompoundsCrystal ChemistryCrystallographySurface PhysicsAb Initio CalculationsBoron ClustersEpitaxial DefectsHexagonal Boron NitrideMetal-nitrogen Multiple BondsRipening ProcessesSuperlatticesThermal Stability
The moiré of a monolayer of hexagonal boron nitride on Ir(111) is found to be a template for Ir, C, and Au cluster superlattices. Using scanning tunneling microscopy, the cluster structure and epitaxial relation to the substrate, the cluster binding site, the role of defects, as well as the thermal stability of the cluster lattice are investigated. The Ir and C cluster superlattices display a high thermal stability, before they decay by intercalation and Smoluchowski ripening. Ab initio calculations explain the extraordinarily strong Ir cluster binding through selective sp3 rehybridization of boron nitride involving B-Ir cluster bonds and a strengthening of the nitrogen bonds to the Ir substrate in a specific, initially only chemisorbed valley area within the moiré.
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Generalized Gradient Approximation Made Simple
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