Planar Clusters of Identical Atoms in Equilibrium: 1. Diatomic Model Approach
American Journal of Nano Research and Applications
Volume 5, Issue 3-1, May 2017, Pages: 1-4
Received: Jul. 21, 2016;
Accepted: Jul. 25, 2016;
Published: Sep. 14, 2016
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Levan Chkhartishvili, Department of Engineering Physics, Georgian Technical University, Tbilisi, Georgia; Laboratory for Boron-Containing and Composite Materials, F. Tavadze Institute of Metallurgy and Materials Science, Tbilisi, Georgia
Diatomic model, when is utilized to describe clusters of identical atoms, takes into account bonding only between neighboring pairs of atoms. According to the diatomic model, isomers of wrapped forms, e.g. built from nanotubular and/or fullerene-like structural fragments, have to be more stable energetically than their planar counterparts because planar clusters contain more peripheral atoms with dangling bonds and, correspondingly, lesser atoms with saturated bonds. At the same time, mentioned difference in coordination numbers between central and peripheral atoms leads to the bonds polarity in planar clusters. Introducing corrections related to the electrostatic forcesreveals that small planar clusters can be more stable than their wrapped isomers. It is the Paper 1 of two, which provides a general theoretical frame for studying the planar clusters of identical atoms. The Paper 2 will be devoted to the numerical realization for all-boron planar clusters.
Planar Clusters of Identical Atoms in Equilibrium: 1. Diatomic Model Approach, American Journal of Nano Research and Applications. Special Issue:Nanotechnologies.
Vol. 5, No. 3-1,
2017, pp. 1-4.
L. Chkhartishvili and R. Becker, “Effective atomic charges and dipole moment of small boron clusters,” in Proc. ICANM 2015: Int. Conf. & Exh. Adv. & Nano Mater., Ottawa: IAEMM, 2015, pp. 130–147.
L. Chkhartishvili, R. Becker, and R. Avci, “Relative stability of boron quasi-planar clusters,” in Proc. Int. Conf. Adv. Mater. & Technol., G. Darsavelidze, A. Guldamashvili, R. Chedia, A. Sichinava, and M. Kadaria, Eds., Tbilisi: Universal, 2015, pp. 42–46.
L. Chkhartishvili, “Ch. 6. Micro- and nano-structured boron,” in Boron. Comp., Prod. & Appl., G. L. Perkins, Ed., New York: Nova Sci. Publ., 2011, pp. 221–294.
L. Chkhartishvili, “Nanoboron (An overview),” Nano Studies, vol. 3, pp. 227–314, 2011.
R. Becker, L. Chkhartishvili, and P.Martin, “Boron, the new graphene?” Vac. Technol. & Coat., vol. 16, pp. 38–44, 2015.
L. Chkhartishvili, “Ch. 7. Boron nanostructures: All-boron nanostructures,” in CRC Concise Encyclopedia of Nanotechnology, B. I. Kharisov, O. V. Kharissova, and U. Ortiz–Mendez, Eds., Boca Raton: CRC Press, 2016, pp. 53–69.
I. “Boustani, “Theoretical prediction and experimental observation of boron quasi-planar clusters and single-wall nanotubes,” in Abs.15th Int. Symp. Boron, Borides & Rel. Mater., Hamburg: UH, 2005, pp. 41–41.
B. Kiran, S. Bulusu, H.-J. Zhai, S. Yoo, X. Ch. Zeng, and L.-Sh. Wang, “Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes,” Proc. Natl. Acad. Sci. USA, vol. 102, pp. 961–964, 2005.
W. An, S. Bulusu, Y. Gao, and X. C. Zeng, “Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron clusters B20 and B20−,” J. Chem. Phys., vol. 124, pp. 154310 (1–6), 2006.
L.-Sh. Wang, “Probing the electronic structure and chemical bonding of boron clusters using photoelectron spectroscopy of size-selected cluster anions,” in Abs. 16th Int. Symp. Boron, Borides & Rel. Mater., Matsue: KM, 2008, pp. 61–61.
I. Boustani, “Structural transitions and properties of boron nanoclusters,” in Abs. 17th Int. Symp. Boron, Borides & Rel. Mater., Ankara: BKM, 2011, pp. 49–49.
S.-J. Xu, J. M. Nilles, D. Radisic, W.-J. Zheng, S. Stokes, K. H. Bowen, R. C. Becker, and I. Boustani, “Boron cluster anions containing multiple B12 icosahedra,” Chem. Phys. Lett., vol. 379, pp. 282–286, 2003.
Z. A. Piazza, H.-Sh. Hu, W.-L. Li, Y.-F. Zhao, J. Li, and L.-Sh. Wang, “Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets,” Nat. Commun., vol. 5, pp. 3113 (1–15), 2014.
E. Fermi, Molecules and Crystals, Leipzig: Barth, 1938.
S. I. Novikova, Thermal Expansion of Solids, Moscow: Nauka, 1974.
A. I. Slutsker, V. L. Gilyarov, and A. S. Lukyanenko, “The energy of an adiabatically forced anharmonic oscillator,” Phys. Solid State, vol. 48, pp. 1832–1837, 2006.
L. S. Chkhartishvili, D. L. Gabunia, and O. A. Tsagareishvili, “Effect of the isotopic composition on the lattice parameter of boron,” Powd. Metall. & Met. Ceram., vol. 47, pp. 616–621, 2008.
D. Gabunia, O. Tsagareishvili, L. Chkhartishvili, and L. Gabunia, “Isotopic composition dependences of lattice constant and thermal expansion of b-rhombohedral boron,” J. Phys.: Conf. Ser., vol. 176, pp. 012022 (1–10), 2009.
L. Chkhartishvili, O. Tsagareishvili, and D. Gabunia, “Isotopic expansion of boron,” J. Metall. Eng., vol. 3, pp. 97–103, 2014.