Historical Data Mining Deep Dive into Machine Learning-Aided 2D Materials Research in Electrochemical Applications

Abstract

Machine learning transforms the landscape of 2D materials design, particularly in accelerating discovery, optimization, and screening processes. This review has delved into the historical and ongoing integration of machine learning in 2D materials for electrochemical energy applications, using the Knowledge Discovery in Databases (KDD) approach to guide the research through data mining from the Scopus database using analysis of citations, keywords, and trends. The topics will first focus on a “macro” scope, where hundreds of literature reports are computer analyzed for key insights, such as year analysis, publication origin, and word co-occurrence using heat maps and network graphs. Afterward, the focus will be narrowed down into a more specific “micro” scope obtained from the “macro” overview, which is intended to dive deep into machine learning usage. From the gathered insights, this work highlights how machine learning, density functional theory (DFT), and traditional experimentation are jointly advancing the field of materials science. Overall, the resulting review offers a comprehensive analysis, touching on essential applications such as batteries, fuel cells, supercapacitors, and synthesis processes while showcasing machine learning techniques that enhance the identification of critical material properties.