화학공학소재연구정보센터
Chemical Physics Letters, Vol.634, 71-76, 2015
Carborane super-nano-tubes
Nano-structures are naturally sought to be designed from a few especially stable multifunctional units, which can be manipulated into diverse chosen forms. To this end an icosahedral para-carborane unit is here investigated as a basic building block, to form super-carborane nano-tubes. The energetics for differing conceivable forms of the super-nanotubes is investigated, to reveal evidently more stable choices and asymptotic behaviors for long tubes. Further a lower frequency band of exo-carboraneic vibrations is revealed, and interpreted. (C) 2015 Elsevier B.V. All rights reserved.