Marzieh Ajamgard - Lorestan University, Science Faculty, Chemistry Department, Khorram Abad, I.R. Iran
Hamid Reza Shamlouei - Lorestan University, Science Faculty, Chemistry Department, Khorram Abad, I.R. Iran

Unique properties of the Fullerene molecule and high application of them in electronicdevices [1], optical materials [2], as electrode materials in alkali-ion batteries [3], nanomedicine [4], magnetic recording [5], and environmental processes promote the scientists tostudy about them. Theoretically it was shown that the nanocages with the general formula of(XY)12 are the most stable clusters [6]. Among these cages, B12N12 is very well-knownnanostructure that was synthesized and detected by laser desorption time-of-flight massspectrometry [7]. This nanocage has high-temperature stability, low dielectric constant, largethermal conductivity, and oxidation resistance [8] and extensively employed as toxic gasdetection [9], toxic gas adsorbent [10], and drug delivery device [11].Some effort such as doping some impurity in nanocluster was done to increase the sensitivityand adsorption properties of B12N12 [12 -13]. The interaction of amphetamine as an importantdrug with nanostructures were calculated previously [14- 15]. In this research the impuritiesof second raw of periodic table were inserted inside the B12N12 nanocage and the effect ofthese impurities on adsorption of amphetamine on its surface was studied.