Family of boron fullerenes: General constructing schemes, electron counting rule, and ab initio calculations
Year: 2008
Type: article
Abstract: A set of general constructing schemes is unveiled to predict a large family of stable boron monoelemental, hollow fullerenes with magic numbers $32+8k$ $(k\ensuremath{\ge}0)$. 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.
Source: Physical Review B
Institution: University of Chinese Academy of Sciences
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2000752730