The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

Atomic clusters, consisting of a few to a few thousand atoms, have emerged over the past 40
years as the ultimate nanoparticles, whose structure and properties can be controlled one …

Because of their interesting structures and bonding and potentials as motifs for new
nanomaterials, size-selected boron clusters have received tremendous interest in recent …

Photoelectron spectroscopy (PES) in combination with computational chemistry has been
used systematically over the past decade to elucidate the structures and chemical bonding …

A new class of quasi-planar 2D borophene B 35 has been investigated for gas sensing
properties towards different atmospheric gases by DFT methods. The global minimum …

Ab initio structure prediction methods have been nowadays widely used as powerful tools
for structure searches and materials discovery. However, they are generally restricted to …

Graphene is a well‐known 2D material with potential applications. In recent years, 2D
materials of other elements have come to the fore. These are borophene in group III …

Inspired by the experimentally observed bilayer B48−/0 and theoretically predicted bilayer
B50–B72 and based on extensive density functional theory calculations, we report herein a …

Boron clusters have been found to exhibit a variety of interesting electronic, structural, and
bonding properties. Of particular interest are the recent discoveries of the 2D hexagonal …

Since the discovery of the B40 borospherene, research interests have been directed to the
structural evolution of even larger boron clusters. An interesting question concerns if the …