Application of artificial intelligence in the materials science, with a special focus on fuel cells and electrolyzers

Abstract

Artificial Intelligence (AI) has revolutionized technological development globally, delivering relatively more accurate and reliable solutions to critical challenges across various research domains. This impact is particularly notable within the field of materials science and engineering, where artificial intelligence has catalyzed the discovery of new materials, enhanced design simulations, influenced process controls, and facilitated operational analysis and predictions of material properties and behaviors. Consequently, these advancements have streamlined the synthesis, simulation, and processing procedures, leading to material optimization for diverse applications. A key area of interest within materials science is the development of hydrogen-based electrochemical systems, such as fuel cells and electrolyzers, as clean energy solutions, known for their promising high energy density and zero-emission operations. While artificial intelligence shows great potential in studying both fuel cells and electrolyzers, existing literature often separates them, with a clear gap in comprehensive studies on electrolyzers despite their similarities. This review aims to bridge that gap by providing an integrated overview of artificial intelligence's role in both technologies. This review begins by explaining the fundamental concepts of artificial intelligence and introducing commonly used artificial intelligence-based algorithms in a simplified and clearly comprehensible way, establishing a foundational knowledge base for further discussion. Subsequently, it explores the role of artificial intelligence in materials science, highlighting the critical applications and drawing on examples from recent literature to build on the discussion. The paper then examines how artificial intelligence has propelled significant advancements in studying various types of fuel cells and electrolyzers, specifically emphasizing proton exchange membrane (PEM) based systems. It thoroughly explores the artificial intelligence tools and techniques for characterizing, manufacturing, testing, analyzing, and optimizing these systems. Additionally, the review critically evaluates the current research landscape, pinpointing progress and prevailing challenges. Through this thorough analysis, the review underscores the fundamental role of artificial intelligence in advancing the generation and utilization of clean energy, illustrating its transformative potential in this area of research.