Towards Reproducible and Automated Electrochemistry

Abstract

Ensuring scientific reproducibility holds increasing importance in chemistry as it underpins the credibility and integrity of research findings. However, reproducing experiments and measurements is often hindered by incomplete or ambiguous procedural data in scientific literature. Additionally, the time-consuming process of data generation limits the scale of reproducing experiments. Growing efforts towards automation will contribute to enhancing reproducibility. Nevertheless, both manual reproducibility efforts and the development of automated experiments and measurements will require improved methods for recording and sharing experimental procedures in machine-readable formats. Here we develop ExpFlow, a data sharing and reporting software that currently targets electrochemistry. The ExpFlow software allows researchers to systematically encode laboratory procedures through a graphical user interface that operates like a fill-in-the-blank lab notebook. Built-in calculators derive properties such as diffusion coefficient and charge-transfer rate constant. Additionally, ExpFlow’s machine-readable experimental workflows enable the easy translation of human-developed laboratory procedures to robotic experimentation. We deploy ExpFlow procedures with a robotic system to perform cyclic voltammetry measurements, reproducing several literature-reported electrochemical results. Ultimately, these tools enable automated cyclic voltammetry experiments and measurements that will facilitate high-throughput experimentation, reproducibility, and eventually data-driven discovery in electrochemistry.