Browsing by Author "Boustani, I."

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Citation - Scopus: 1
Fragmentation and Coulomb explosion of multicharged small boron clusters
(2012) Tas, M.; Akman, N.; Özdoǧan, C.; Boustani, I.; 40569
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.
Citation - WoS: 153
The unusually stable B-100 fullerene, structural transitions in boron nanostructures, and a comparative study of alpha- and gamma-boron and sheets
(Amer Chemical Soc, 2010) Ozdogan, C.; Özdoğan, Cem; Mukhopadhyay, S.; Hayami, W.; Guvenc, Z. B.; Pandey, R.; Boustani, I.; Ortak Dersler Bölümü
Solid alpha-B-12 rhombohedral and gamma-B-28 orthorhombic boron as well as boron nanostructures in the form of spheres, sheets, and multirings beside a ring consisting of icosahedral B-12 units were investigated using ab initio quantum chemical and density functional methods. The structure of the 131(x) fullerene exhibits unusual stability among all noninteracting free-standing Clusters, and is more stable than the 13120 cluster fragment of the gamma-B-28 solid, recently predicted and observed by Oganov et al. (Nature 2009, 457, 863). In addition, we compared the stability of the multirings and reported the structural transition from double-ring to triple-ring systems. This structural transition Occurs between B-52 and B-54 Clusters. We confirm that the noninteracting free-standing triangular buckled-sheet is more stable than the gamma-sheet, assembled in this work, and than the a-sheet, proposed by Tang and Ismail-Beigi (Phys. Rev. Lett. 2007, 99, 115501). In contrast, however, when these sheets are considered as infinite periodic systems, then the a-sheet remains the most stable one.