Theoretical Study on Pt-Doped Carbon Nanotubes Used to Detect Typical Exhaled Gases of Lung Cancer

摘要

In recent years, carbon nanotubes and their dopants have been widely studied. In this paper, benzene (C_6H_6) and styrene (C_8H_8), two main iconic exhaled gases of lung cancer, have been detected by carbon nanotubes in order to achieve early diagnosis of lung cancer. Intrinsic and Pt-doped (8,0) carbon nanotubes are established, and the adsorption sites, bond structure and adsorption energy are calculated according to the density functional theory, of which the results show that Pt-doped carbon nanotubes can effectively improve the detection capability of exhaled gases of lung cancer. Intrinsic carbon nanotubes are not suitable for the detection of lung cancer's exhaled gases because of their low sensitivity and responsiveness for C_6H_6 and C_8H_8. However, in the process of Pt-doped carbon nanotubes adsorbing two iconic exhaled gases of lung cancer, adsorption energy increased and a large number of electrons transferred, leading to an increase of electronic states. Pt-doped carbon nanotubes performed higher response sensitivity to C_6H_6 and C_8H_8, it's suitable for detection of lung cancer.