Boron fullerenes: A first-principles study

被引：79

作者：

Szwacki, Nevill Gonzalez ^{[1
]}

机构：

[1] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA

来源：

NANOSCALE RESEARCH LETTERS | 2008年 / 3卷 / 02期

关键词：

boron clusters; boron fullerenes and nanotubes; boron sheets; quantum-mechanical modeling;

D O I：

10.1007/s11671-007-9113-1

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

A family of unusually stable boron cages was identified and examined using first-principles local-density functional method. The structure of the fullerenes is similar to that of the B-12 icosahedron and consists of six crossing double-rings. The energetically most stable fullerene is made up of 180 boron atoms. A connection between the fullerene family and its precursors, boron sheets, is made. We show that the most stable boron sheets are not necessarily precursors of very stable boron cages. Our finding is a step forward in the understanding of the structure of the recently produced boron nanotubes.

引用

页码：49 / 54

页数：6

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