Hui Bai

TL;DR: The observation of an all-boron fullerene-like cage cluster at B40(-) with an extremely low electron-binding energy is reported, by photoelectron spectroscopy, and theoretical calculations show that this arises from a cage structure with a large energy gap, but that a quasi-planar isomer of B40 (-) with two adjacent hexagonal holes is slightly more stable than the fullerenes structure.

TL;DR: Global minimum searches find that both B35(-) and B35 possess planar hexagonal structures, similar to that of B36, except a missing interior B atom that creates a double-hexagonal vacancy.

TL;DR: The observation of axially chiral borospherene in the B(39)(-) nanocluster is reported on the bases of photoelectron spectroscopy, global minimum searches, and electronic structure calculations, and indicates the structural diversity of boron-based nanomaterials.

TL;DR: The mysterious structure of the α-sheet with peculiar distribution of filled and empty hexagons is rationalized in terms of chemical bonding and it is shown that the hexagon holes serve as scavengers of extra electrons from the filled hexagons.

TL;DR: A density functional theory study on the viability of metalloborospherenes: endohedral M@B40 (M=Ca, Sr) and exohedral D(2d) B40(-/0), which provides indirect evidence for the robustness of the borospherene structural motif.