“…For instance, various previous studies have reported about its application in common environmental gases detection, including theoretical and experimental studies [19][20][21][22], while, until now, there is no study on Ni-SWCNTs sensors used to detect lung cancer by breath gases. In this study, we propose a novel way to detect typical breath gases of lung cancer: benzene (C 6 H 6 ), styrene (C 8 H 8 ), isoprene (C 5 H 8 ), and 1-hexene (C 6 H 12 ) by theory computation [23,24]. The adsorption reactions for C 6 H 6 , C 8 H 8 , C 5 H 8 , and C 6 H 12 gases on carbon nanotubes are calculated based on density functional theory (DFT); the sensitivity of carbon nanotubes for these gases was analyzed.…”