Structural transformations in boron clusters induced by metal doping

In the last decades, experimental techniques in conjunction with theoretical analyses have revealed the surprising structural diversity of boron clusters. Although the 2D to 3D transition thresholds are well-established, there is no certainty about the factors that determine the geometry adopted by these systems. The structural transformation induced by doping usually yields a minimum energy structure with a boron skeleton entirely different from that of the bare cluster. This review summarizes those clusters no larger than 40 boron atoms where one or two dopants show a radical transformation of the structure. Although the structures of these systems are not easy to predict, they often adopt familiar shapes such as umbrella-like, wheel, tubular, and cages in various cases.

Automated summary

The author summarizes the cases of structural transformation in clusters of no more than 40 boron atoms, where one or two dopants result in a radical change in the structure. The minimum energy structure induced by doping is usually entirely different from that of the bare cluster. Despite the difficulty in predicting the structures of these systems, they often adopt familiar shapes such as umbrella-like, wheel, tubular, and cages in various cases.