Organophosphate ethyl paraoxon on Ag and Au surfaces: a density functional theory perspective

Organophosphates, a class of organic compounds containing phosphorus, have garnered considerable attention due to their widespread application in agriculture. Understanding their optical properties is crucial for food safety, toxicity analysis, and early detection. In this work, the optical properties of an organophosphate containing a paraoxon moiety and its interactions with gold and silver surfaces are investigated using density functional theory. The differences between physisorption and chemisorption of ethyl paraoxon, a commonly used model organophosphate compound, on metal surfaces explain the discrepancies observed in the reported experimental Raman spectra.