부산대학교 도서관

Electrochemistry ecosystems are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. We demonstrate this automated workflow by remotely operating the instruments and collecting their measurements to generate a voltammogram (I-V profile) of an electrolyte solution in an electrochemical cell. These measurements are made available at the remote computing system and used for subsequent analysis. In this paper, we focus on a novel, analytically validated machine learning (ML) method for an electrochemistry ecosystem to ensure that I-V measurements are consistent with the normal experimental conditions, and to detect abnormal conditions, such as disconnected electrodes or low cell content volume.
Comment: published at eScience 2023