Abstract
The sensing behavior of the neurotransmitter dopamine (DA) on metal phthalocyanines (MPcs), specifically containing cobalt (CoPc) and magnesium (MgPc) in the presence of solvents (water and ethanol), was investigated using density functional theory (DFT). The outcomes of our study demonstrate that both Mg-Pc and Co-Pc exhibit a higher affinity towards dopamine molecules. The negative values of enthalpy and Gibbs free energy and entropy suggest that the adsorption process is exothermic, spontaneous, reversible, and thermodynamically favorable. Further, the charge transfer and conduction capacity of both Mg-Pc and Co-Pc indicate their potential as sensitive materials for dopamine biosensors. Furthermore, the high recovery time and sensitivity indicate both the materials perform exceptionally well in water, as dopamine sensors with slight edges favouring the DA/CoPc complex.
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