title: Icosahedral B12-containing core-shell structures of B80.
abstract: Low-lying icosahedral (I(h)) B(12)-containing structures of B(80) are explored, and a number of core-shell isomers are found to have lower energy than the previous predicted B(80) fullerene. The structural transformation of boron clusters from tubular structure to core-shell structure may occur at a critical size less than B(80).
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, Nebraska 68588, USA.
authors.forename: Hui
authors.initials: H
authors.lastname: Li
authors.forename: Nan
authors.initials: N
authors.lastname: Shao
authors.forename: Bo
authors.initials: B
authors.lastname: Shang
authors.forename: Lan-Feng
authors.initials: LF
authors.lastname: Yuan
authors.forename: Jinlong
authors.initials: J
authors.lastname: Yang
authors.forename: Xiao Cheng
authors.initials: XC
authors.lastname: Zeng