Sc-doped SnS2 monolayer-based promising biosensor FET for lung cancer early diagnosis: an ab-initio study

• Published in: Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology 2023-07, Vol.25 (7), p.130, Article 130
• Main Authors: Verma, Swati, Kumar, Arun, Baghel, Rahul, Verma, Mohan L.
• Format: Article
• Language: English
• Subjects: Adsorption; Biomarkers; Biosensors; Characterization and Evaluation of Materials; Charge transfer; Chemistry and Materials Science; Diagnosis; Electric fields; Electronic properties; Field effect transistors; Inorganic Chemistry; Lasers; Lung cancer; Magnetic properties; Materials Science; Monolayers; Nanoparticles; Nanotechnology; Optical Devices; Optics; Organic compounds; Photonics; Physical Chemistry; Physicochemical properties; Research Paper; Scandium; Semiconductor devices; VOCs; Volatile organic compounds
• ISSN: 1388-0764; 1572-896X
• DOI: 10.1007/s11051-023-05783-6

Early diagnosis of lung cancer has gained much attention in the last few years due to its high incidence and fatality rate. In this paper, Sc-doped SnS 2 (Sc − SnS 2 ) monolayer is proposed as a promising biosensor to diagnose lung cancer in the early stage. Employing DFT-based investigation, the adsorption mechanism of three prominent biomarkers C 3 H 4 O, C 3 H 6 O, and C 5 H 8 in the exhaled breath of lung cancer patients is analyzed. The effect of Sc-doping on pristine SnS 2 is studied first followed by an investigation of the adsorption mechanism via. structural, magnetic, and electronic properties. Based on binding energy calculations, a single Sc atom adsorbs on the Sn-site of the SnS 2 surface and is chosen as a molecular model for adsorption analysis. The findings revealed that the Sc-SnS 2 monolayer had exceptional adsorption ability for three common volatile organic compounds (VOCs) found in lung cancer patients, resulting in a significant change in the physicochemical parameters of the sensing Sc-SnS 2 system. The results projected Sc − SnS 2 monolayer as a promising biosensor to diagnose lung cancer at an early stage and provide a way for experimentalists to explore it in the real application. Moreever, the charge-transfer behavior under the effect of electric field is also examined in order to explicate the expediency of Sc-doped SnS 2 monolayer as a field-effect-transistor sensor.