Revealing initial nucleation of hexagonal boron nitride on Ru(0001) and Rh(111) surfaces by density functional theory simulations
Huanhuan Li, Hongxia Zhu, Ruiqi Zhao
Abstract
The nucleation of h-BN on Ru(0001) and Rh(111) surfaces via an energy-driven process is systematically studied by density functional theory simulations.
Topics & Concepts
ChemistryHexagonal boron nitrideNucleationDensity functional theoryBoron nitrideHexagonal crystal systemNitrideBoronNanotechnologyChemical physicsCrystallographyComputational chemistryLayer (electronics)GrapheneOrganic chemistryMaterials scienceGraphene research and applicationsSemiconductor materials and devicesBoron and Carbon Nanomaterials Research