New insights on designing the next-generation materials for electrochemical synthesis of reactive oxidative species towards efficient and scalable water treatment: A review and perspectives

Electrochemical water remediation technologies offer several advantages and flexibility for water treatment and degradation of contaminants. These technologies generate reactive oxidative species (ROS) that degrade pollutants. For the implementation of these technologies at an industrial scale, efficient, scalable, and cost-effective in-situ ROS synthesis is necessary to degrade complex pollutant mixtures, treat large amount of contaminated water, and clean water in a reasonable amount of time and cost.These targets are directly dependent on the materials used to generate the ROS, such as electrodes and catalysts. Here, we review the key design aspects of electrocatalytic materials for efficient in-situ ROS generation. We present a mechanistic understanding of ROS generation, including their reaction pathways, and integrate this with the key design considerations of the materials and the overall electrochemical reactor/cell. This involves tunning the interfacial interactions between the electrolyte and electrode which can enhance the ROS generation rate up to ∼ 40 % as discussed in this review. We also summarized the current and emerging materials for water remediation cells and created a structured dataset of about 500 electrodes and 130 catalysts used for ROS generation and water treatment. A perspective on accelerating the discovery and designing of the next generation electrocatalytic materials is discussed through the application of integrated experimental and computational workflows. Overall, this article provides a comprehensive review and perspectives on designing and discovering materials for ROS synthesis, which are critical not only for successful implementation of electrochemical water remediation technologies but also for other electrochemical applications.