Vacancy Clusters in Graphane as Quantum Dots

详细信息    查看全文

• 作者：Abhishek K. Singh ; Evgeni S. Penev ; Boris I. Yakobson
• 刊名：ACS Nano
• 出版年：2010
• 出版时间：June 22, 2010
• 年：2010
• 卷：4
• 期：6
• 页码：3510-3514
• 全文大小：379K
• 年卷期：0
• ISSN：1936-086X

文摘

Complementary electronic properties and a tendency to form sharp graphene−graphane interfaces 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 (i.e., with armchair edge). Clusters exhibit large gaps ∼15/√n eV with size dependence typical for confined Dirac fermions.