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Python-assisted simulation and integrated electrochemical experimental design of cyclic voltammetry for OER catalysts

Zihan Wang, Kaiyuan Jia, Yutao Liu, Liang Ma   

  1. Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074, Hubei Province, China
  • Received:2026-02-14 Accepted:2026-04-14
  • Contact: Liang Ma E-mail:liangma@cug.edu.cn

Abstract: To address the limitation of traditional cyclic voltammetry (CV) instruction that primarily employs the reversible K3[Fe(CN)6]/K4[Fe(CN)6] redox system, where students often perform experiments without achieving deep conceptual understanding, we designed a comprehensive electrochemical experiment to enhance students’ comprehension of CV fundamentals and methodologies. The study involved preparing a Co(OH)2/Ni(OH)2 electrocatalyst via electrodeposition and conducting CV tests in alkaline media. By integrating a self-developed Python-based finite difference iterative simulation program that allows adjustable parameters (including scan rate and charge-transfer constants), we enabled detailed exploration of microscopic reaction kinetics. Experimental results demonstrated stable redox characteristics and oxygen evolution region responses, while simulations successfully reproduced voltammogram trends, thereby supporting mechanistic investigations. The innovation of this work lies in its seamless integration of electrode fabrication, CV measurements, and numerical simulation, creating a hierarchical and progressive instructional approach with strong practicality and broad application potential.

Key words: Comprehensive experimental design, Cyclic voltammetry, Oxygen evolution electrocatalyst, Python simulation, Electrochemistry