Synthesis of boron-nitride nano tube from single-walled (8,0) zig-zag carbon nano tube

In this thesis, synthesis of the probable boron-nitrid nano tubes from (8,0) zig-zag C64-(x+y)BxNy carbon nano tubes which contains 64 atoms; geometryoptimization, band structure, density of states properties and (8,0) zig-zag and(5,5) armchair nano tubes interactions with hydrogen atoms have investigatedusing ab-initio method by CASTEP program package. In all computations (8,0)zig-zag and (5,5) armchair nano tubes have studied at 480 (eV) cutoff energy forthe geometry optimizations, energy band structures and density of states andused Ultrasoft pseudopotantial and GGA-PW91 exchange-correlation energy.Nevertheless, CNT?s conductivities have been tested for (8,0) and (5,5) carbonnano tubes.