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Structural transformations in boron clusters induced by metal doping

Author : Dr Sudip Pan

Year : 2022

Publisher : Royal Society of Chemistry

Source Title : Chemical Society Reviews

Document Type :

Abstract

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. This journal is