Experimental and computational studies of the interactions between carbon nanotubes and ionic liquids used for detection of acetaminophen

摘要: Abstract The interactions between multi-walled carbon nanotubes and different amounts of an ionic liquid (IL), as well the this system (used electrochemical sensor) acetaminophen (ACOP), were investigated through both experimental theoretical methodologies. Experiments indicated that there is optimal concentration for ACOP detection. A host techniques model systems employed to investigate adsorption oxidation processes. To source increased current in presence IL, we computed energy values nanotube – IL via Monte Carlo simulations Density Functional Theory (DFT). DFT allowed us explore changes due oxidation. Our results support findings moderate modulates ACOP/ACOP+ adsorption, pointing a cooperative effect tends wane with increasing pairs. We observed favors desorption oxidized species facilitates charge transfer from nanotube. Therefore, our studies point towards multifactorial effects clear physical basis binding leading ratio promote