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 …

Situated between metals and non-metals in the periodic table, boron is one of the most
chemically versatile elements, forming at least sixteen bulk polymorphs composed of …

Evaluating the (dis) similarity of crystalline, disordered and molecular compounds is a critical
step in the development of algorithms to navigate automatically the configuration space of …

After the discovery of fullerene-C60, it took almost two decades for the possibility of boron-
based fullerene structures to be considered. So far, there has been no experimental …

Boron is carbon's neighbour in the periodic table and has similar valence orbitals. However,
boron cannot form graphene-like structures with a honeycomb hexagonal framework …

It has been widely accepted that planar boron structures, composed of triangular and
hexagonal motifs are the most stable two-dimensional (2D) phases and likely precursors for …

The structural stability and diversity of elemental boron layers are evaluated by treating them
as pseudoalloy B1–x⬡ x, where⬡ is a vacancy in the close-packed triangular B lattice. This …

We have developed an efficient method for cluster structure prediction based on the
generalization of particle swarm optimization (PSO). A local version of PSO algorithm was …

Inspired by the great development of graphene, more and more research has been
conducted to seek new two-dimensional (2D) materials with Dirac cones. Although 2D Dirac …

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