Fragmentation and Coulomb explosion of multicharged small boron clusters

Abstract

We extensively study the fragmentation and Coulomb explosion of multiply charged small boron clusters B n (n=2-13), where n is the cluster size. Our calculations are based on ab initio quantum-chemistry methods. Highly charged unstable clusters dissociate spontaneously into several neutral or charged fragments, and large amounts of energy are produced, depending on the charge of the parent cluster. We argue that this mechanism makes boron clusters a clean, safe, and cheap energetic material. © 2012 American Physical Society.