Dr Nevill Gonzalez Szwacki from the Faculty of Physics at the University of Warsaw has developed a groundbreaking model that explains the diversity of boron nanostructures – from hollow molecular clusters to ultrathin 2D layers. His research, published in the prestigious “2D Materials” magazine, shows that the key to the stability and electronic properties of these structures lies in the atomic coordination, the number of neighboring atoms.

Scientist has developed a breakthrough model explaining the variety of boron nanostructures. Boron is a chemical element next to carbon in the periodic table, is known for its unique ability to form complex bond networks.

The analysis presented in the article combines more than a dozen known boron nanostructures, including the experimentally observed B₄₀ and B₈₀ fullerenes. Using first-principles quantum-mechanical calculations, the study shows that the structural, energetic, and electronic properties of these systems can be predicted by looking at the proportions of atoms with four, five, or six bonds.

This coordination-based approach not only brings together previously separate structural families but also explains general trends: higher atomic coordination usually leads to greater stability of boron nanostructures, while their electronic properties depend more on geometry and how the orbitals are arranged. For instance, some cages like B₄₀ have large electronic gaps because of their compact and symmetrical shapes, while highly coordinated structures may be metallic or have smaller gaps. Therefore, the number of atomic connections serves as a unifying and predictive factor rather than a direct measure of electronic properties.

“The concept presented here serves as a guide for designing new boron nanostructures with specific magnetic, electronic, or mechanical features. It may also support future experiments using cluster-beam or surface-growth techniques”, emphasizes Dr Nevill Gonzalez Szwacki.

The publication by the University of Warsaw researcher demonstrates that boron remains an exceptionally versatile platform for creating tunable nanoscale materials, bridging the molecular and two-dimensional worlds.