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B12H n and B12F n : planar vs icosahedral structures

Nevill Gonzalez Szwacki1 and C J Tymczak2*

Author Affiliations

1 Institute of Theoretical Physics, Faculty of Physics, University of Warsaw, ul. Hoża 69, Warsaw, 00-681, Poland

2 Department of Physics, Texas Southern University, Houston, TX, 77004, USA

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Nanoscale Research Letters 2012, 7:236  doi:10.1186/1556-276X-7-236

Published: 30 April 2012

Additional files

Additional file 1:

Total electronic energies of the boron structures. Electronic supplementary material Figure S1 shows a fully planar boron-based nanostructure, B504H36, which was obtained starting from planar B12H6 building blocks. Table S1 recollects total energies and Cartesian coordinates of the optimized structures shown in Figures 1 and 2.

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