Hua-Jin Zhai

TL;DR: Using relativistic density functional calculations, it is found that Au20 possesses a tetrahedral structure, which is a fragment of the face-centered cubic lattice of bulk gold with a small structural relaxation, which suggests that the Au20 cluster should be highly stable and chemically inert.

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: Experimental and theoretical evidence is reported that small boron clusters prefer planar structures and exhibit aromaticity and antiaromaticity according to the Hückel rules, akin to planar hydrocarbons.

TL;DR: In this article, a joint experimental and theoretical study of the electronic and atomic structures of small gold clusters with up to 14 atoms was performed, where the authors obtained well-resolved photoelectron spectra for AuN- (N = 1−14) at several photon energies.

TL;DR: In this paper, a review of small boron clusters as individual species in the gas phase is presented, and the planarity of the species has been further elucidated on the basis of multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity.