preparation and investigation of the adsorption effects of co2 on the hardness of the swcnt (8,0) by gap homo-lumo

in this study the hardness swct was calculated with b3lyp,hf method and 3-21g,6-31g,6-311g basis set .then it was investigated with the best method(b3lyp) and basis set(6-31g) to study the adsorption effects co2 on the hardness of swcnt with gap homo-lumo in two shape: horizontal, vertical and top-center-bridge and we also provide the effects of co2 adsorption on the electronic properties(dos) of the cnts. the soft wares which were used in this study were gaussian 03w; gauss view 5.0w and nano tub modeler. the purpose of this study is to compare the effects of the basis set&co2; adsorption on the hardness of swcnt (8, 0) in gases phase.