Aminobenzoic acid functionalized graphene oxide as environment-friendly corrosion inhibitors for Q235 steel in HCl solution: experimental and DFT studies

The purpose of this study is to provide effective and environmental-friendly corrosion inhibitors derived from graphene oxide for Q235 steel.,Nontoxic and environment-friendly 4-aminobenzoic acid was used to functionalize graphene oxide via amidation and diazotization. The obtained amidation 4-aminobenzoic acid functionalized graphene oxide (PAGO) and diazotization 4-aminobenzoic acid functionalized graphene oxide (PDGO) were characterized by FTIR, Raman and TEM, while the inhibition efficiencies were analyzed by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). Furthermore, theoretical inhibition efficiencies were investigated by density functional theory (DFT) approach.,At a concentration of 40 ppm, the maximum inhibition efficiency of PAGO and PDGO were 97.90% and 96.72% in EIS measurement, respectively, which were in accordance with PDP data. Moreover, experimental results were supported by DFT-based quantum chemical calculation.,Environmental-friendly PAGO and PDGO were synthesized successfully. The synthetic inhibitors exhibited excellent inhibition efficiencies in EIS and PDP measurements. Furthermore, a computational study using DFT supported the trend that PAGO was better inhibitor than PDGO.