B28: the smallest all-boron cage from an ab initio global search.
Our ab initio global searches reveal the lowest-energy cage for B28, which is built from two B12 units and prevails over the competing structural isomers such as planar, bowl, and tube. This smallest boron cage extends the scope of all-boron fullerene and provides a new structural motif of boron clusters and nanostructures.
Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China. zhaojj@dlut.edu.cn.
Jijun
J
Zhao
Xiaoming
X
Huang
Ruili
R
Shi
Hongsheng
H
Liu
Yan
Y
Su
R Bruce
RB
King