Computational Investigation of Antimony Co-doped with Tungsten (W), Molybdenum (Mo), and Chromium (Cr) on Silicon-carbide Nanotubes: As Dopamine Sensors for the Observation of Neurodegenerative Diseases

Neurodegenerative disorders are diseases that affect the brain, and their diagnosis has been a clinical challenge since their inception which is suggested to be as the result of complexity of the brain. In this research, we investigated dopamine as a major indicator of diverse CNS diseases such as Parkinson, schizophrenia, attention deficit hyperactivity disorder (ADHD), and addiction, which are linked to chemical imbalance of dopamine (DPM). Silicon-carbide nanotubes (SiCNTs) were computationally synthesized with antimony (Sb) as the major dopant and doped with other transition metal, such as tungsten (W), molybdenum (Mo), or chromium (Cr), to improve the adsorption capacity of the nanotube materials through theoretical calculations based on density functional theory. This study elucidates the structure of modified silicon-carbide nanotubes for the application of dopamine biomarker. The majority of the systems show promising stability before and after interaction with DPM molecules, and chemisorption characteristic was observed following their adsorption with the DPM. The adsorption of DPM on the Antimony dopant SiCNT surface showed adsorption energy of -0.5442 eV, but after the inoculation of chromium (Cr), molybdenum (Mo), and tungsten (W) transition metals on the Sb@SiCNT surface, the adsorption tenacity increased to -2.7211 eV, -2.7211 eV, and -3.5375 eV, respectively. Therefore, our findings suggested that implementation of transitional metals on Sb dopant SiCNTs can be a promising biosensor for the detection or adsorption of dopamine and related hormones.