Vacancy Clusters in Graphane as Quantum Dots
Graphane can serve as natural host for graphene quantum dots
In a very recent article in ACS Nano, we discuss how complementary electronic properties and a tendency to form sharp graphene−graphane interfaces can open tantalizing possibilities for two-dimensional nanoelectronics. First-principles density functional and tight-binding calculations show that graphane can serve as natural host for graphene quantum dots, clusters of vacancies in the hydrogen sublattice. Their size n, shape, and stability are governed by the aromaticity and interfaces, resulting in formation energies ~1/√n eV/atom and preference to hexagonal clusters congruent with lattice hexagons. Clusters exhibit large gaps ~15/√n eV with size dependence typical for confined Dirac fermions.