Family of boron fullerenes: general constructing schemes, electron counting rule and ab initio calculations

Abstract

A set of general constructing schemes is unveiled to predict a large family of stable boron monoelemental, hollow fullerenes with magic numbers 32+8k (k>=0). The remarkable stabilities of these new boron fullerenes are then studied by intense ab initio calculations. An electron counting rule as well as an isolated hollow rule are proposed to readily show the high stability and the electronic bonding property, which are also revealed applicable to a number of newly predicted boron sheets and nanotubes.

arXiv comment4 pages, 5 figures

References in corpus (5)

• Novel Precursors for Boron Nanotubes: The Competition of Two-Center and Three-Center Bonding in Boron Sheets
• Broad boron sheets and boron nanotubes: An ab initio study of structural, electronic, and mechanical properties
• Boron Fullerenes: A First-Principles Study
• The Boron Buckyball has an Unexpected Th Symmetry
• Face-Centered-Cubic B${}_{80}$ Metal: Density functional theory calculations

Cited by in corpus (4)

• Nanoscale probing of image-potential states and electron transfer doping in borophene polymorphs
• A spectral scheme for Kohn-Sham density functional theory of clusters
• Selecting Boron Fullerenes by Cage-Doping Mechanisms
• Graphdiyne Nanoribbons with Open Hexagonal Rings: Existence of Topological Unprotected Edge States