Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5386166 | Chemical Physics Letters | 2010 | 4 Pages |
Abstract
⺠As reported from density functional calculations the minimum energy structure of the boron fullerene is Th ⺠Extensive calculation using MP2 show that the boron fullerene ground state structure is Ih, the soccer ball symmetry ⺠Additional calculations using MP2 on a (5 0) boron nanotube also show that the central atom buckling does not exist ⺠This will have significant impact on the gap of the boron nano-tubes which will have an effect on the electronic properties (metal or semiconductor).
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
N. Gonzalez Szwacki, C.J. Tymczak,