Multifunctional PAA and PEG modified Co 3 V 2 O 8 nanoparticles for enhanced RhB degradation, OER activity, and antibacterial activity: Experimental validation and computational insight

Abstract

Developing earth-abundant, cost-effective, sustainable, and efficient multifunctional catalysts for oxygen evolution reaction (OER), catalytic dye degradation, and antibacterial activity is extremely challenging. Herein, a novel ternary heterogeneous catalyst polyacrylic acid/polyethylene glycol-cobalt vanadate nanoparticles (PAA/PEG-Co3V2O8 NPs) were effectively synthesized using co-precipitation method. This study reported the multifunctionality of PAA/PEG-Co3V2O8 in degrading RhB, enhancing OER activity, and multiple drug resistant Staphylococcus aureus (MDR S. aureus) inhibition along with molecular docking analysis providing insights into binding interactions. The samples were comprehensively analyzed by conducting an array of analytical techniques including XRD, SAED, FTIR, UV-Vis spectroscopy, TEM, HRTEM, and EDS. The electrochemical activity of prepared material was evaluated by linear sweep voltammetry (LSV), and electrochemical impedance spectroscopy (EIS). The optimized sample exhibited maximum degradation of 96.34 % in an acidic medium within 10 minutes and demonstrated minimal overpotentials of 270, 299, and 362 mV at 30 , 50 , and 100 mA/cm2 respectively. Lowest Tafel slope, and charge transfer resistance, indicated the superior OER performance. The corresponding material showed maximum inhibition zone of 8.25±0.93 mm against MDR S. aureus. The bactericidal action of PAA/PEG-Co3V2O8 NPs was further elucidated through molecular docking, that substantiated their hindering role for topoisomerase II DNA gyrase and dihydrofolate reductase (DHFR) in S. aureus. The findings demonstrate the role of PAA and PEG in improving the overall activity of Co3V2O8 and paved a pathway to fabricate an efficient, cost-effective, and sustainable material for environmental remediation and water splitting applications.