پديدآورندگان :
Beheshtian Javad j.beheshtian@gmail.com Department of Chemistry, Faculty of Science, University of Shahid Rajaee Teacher Training, Tehran, Iran; , salehi Maryam Department of Chemistry, Faculty of Science, University of Shahid Rajaee Teacher Training, Tehran, Iran , Movafagh Fereshteh Farzanegan 1. High School, Tehran, Iran
كليدواژه :
mebendazole , carbon nanotube , DFT , adsoption
چكيده فارسي :
The electronic structure, adsorption energy, band gap, type of interaction and stable configuration of mebendazole (Meb) on the surface of functionalized carbon nanotubes were studied by using density functional theory. Obtained results revealed that Meb is weakly physisorbed on the CNTs and that the electronic properties of the CNTs are not significantly changed. Notably, CNT could be considered as a suitable modifier for preparation of the modified electrode for Meb analysis.
