Optimized Anticorrosion of Polypyrrole Coating by Inverted-Electrode Strategy: Experimental and Molecular Dynamics Investigations.

To improve the poor adhesion and the ensuing insufficient anticorrosion efficacy of electropolymerized polypyrrole (PPy) on copper surface, an inverted-electrode strategy was applied after the passivation procedure, for which the compact coating (PPy-I) was deposited on the substrate in a cathodic window. Morphological and physical characterizations revealed that PPy-I exerted satisfactory adhesion strength and suitable thickness and conductivity compared with the analogue prepared via the traditional protocol (PPy-T). Potentiodynamic polarization, electrochemical impedance spectroscopy and frequency modulation were employed to ascertain the propitious protection of PPy-I for copper in artificial seawater (ASW). Due to the dominant electroactivity, the PPy-I-coated sample possessed higher apparent current density and lower charge transfer resistance than its PPy-T-protected counterpart, which maintained the passivation of the substrate. Surface analysis also supported the viability of PPy-I for copper in ASW for a well-protected surface with inferior water wettability. Molecular dynamics simulations evidenced that PPy-I with the higher density retained efficient anticorrosion capacity on copper at elevated temperatures. Therein, the derived time-dependent spatial diffusion trajectories of ions were locally confined with low diffusion coefficients. Highly twisted pore passages and anodic protection behavior arising respectively from the tight coating architecture and electroactivity contributed to the adequate corrosion resistance of PPy-I-coated copper. [ABSTRACT FROM AUTHOR]