Carbon Nanotube-based Detection of Cancer-related Biomarkers (Methyl Mercaptan, Benzene and Aniline): A First-principles Approach

Cancer is a complex disease caused by genetic changes, and its early detection is essential for effective treatment and reduced mortality. Biomarkers play a key role in cancer diagnosis and prognosis. In this study, a pristine carbon nanotube (CNT) is proposed as a sensor for detecting cancer-related biomarkers such as methyl mercaptan, benzene, and aniline. The sensing performance is investigated using Density Functional Theory (DFT) with the Quantum ATK method by analyzing band gap, density of states, adsorption energy, charge transfer, recovery time, conductance, and sensitivity. The negative adsorption energy values confirm stable physical adsorption, indicating low operating temperature and good reusability. The results demonstrate that pristine CNT shows good stability and sensitivity toward the target molecules, highlighting its potential for early cancer biomarker detection.