Investigation of the adsorption of the drug guanabenz on single wall Aluminum niride nanotubes; A DFT study

Since the carbon nanotubes discovery by Iijima [1] these 1D structures have attracted theattention of the scientific community, they have been investigated both theoretically andexperimentally. Similar studies have been performed on boron nitride nanotubes zinc oxidenanotubes and nanosheets . Between CNTs and boron nitride nanotubes (BNNTs) are manysimilarities that one of them is BNNT that is always semiconductors with almost constantband gap (5.5 eV), nearly independent of the tube diameter and helicity, but CNTs canpresent metallic or semiconductor behavior. In addition, studies have shown that CNTs,BNNTs are the most important nanotubes because of the alternative properties to carbonnanotubes. At the present time, there has been new investigation in the field of nanotubematerials for gas sensor applications that BNNTs can be the best candidate because of theirsimilarities to CNTs [2]. BNNTs were found to be wide band gap semiconductors andindependent of the diameters and chirality of the tube [3]. BNNTs were first theoreticallyinvestigated in 1994 and then experimentally synthesized in 1995 as being mainlysemiconductor materials with wide band gaps. Due to some Paper should be begun by givingessential properties such as their unusual mechanical properties and excellent chemical andthermal stabilities, the BNNTs have been favorable potential for applications innanoelectronic devices for instance sensor and hydrogen storage media.