Sensing studies of DDT and Toxaphene molecules using chemi-resistive β-antimonene nanotubes based on first-principles insights

The density functional theory technique is used in inspecting the chemi-resistive detecting potential of a buckled configuration of antimonene nanotube (SbNT) towards the water pollutants - Dichlorodiphenyltrichloroethane (DDT) and Toxaphene. The sturdiness of novel SbNT is verified by computing the formation energy (- 2.690 eV per atom). The water pollutants are adsorbed on the prime material at three distinct positions, following which the electronic properties of pure and water pollutants adsorbed prime material is estimated. Furthermore, the adsorption attributes of DDT and Toxaphene on SbNT are explored which recommend the potential of buckled antimonene nanotube as a sensor towards DDT and Toxaphene.