Publication date: 21st July 2025
Electrochemical energy conversion technologies such as fuel cells and electrolysers rely on advanced electrocatalysts that must exhibit high catalytic activity, selectivity, and long-term stability, while ideally being composed of abundant and inexpensive materials. However, for most industrially relevant reactions, no catalyst fully meets all these criteria. As a result, significant research efforts have been directed toward the discovery and development of advanced catalysts. In recent years, two fundamentally different approaches have emerged in electrocatalysis research:
- Knowledge-driven design and development of new catalysts, based on mechanistic understanding and guided experimentation;
- Accelerated screening of material libraries, often supported by artificial intelligence (AI), aimed at identifying promising candidates, uncovering hidden structure–performance relationships, or both.
The former approach relies heavily on a wide range of in-situ and operando techniques, which provide insights that are inaccessible through conventional electrochemical testing, also offering real-time information on catalytic behavior and reaction mechanisms. However, the integration of such techniques into high-throughput screening workflows remains limited. This is largely due to practical challenges: in-situ/operando methods can reduce throughput, increase system complexity, and often involve high costs and limited accessibility [1]. Nevertheless, as will be demonstrated in this presentation, the selective application of these techniques can be highly valuable, offering qualitatively different information that is otherwise inaccessible. A representative example is the online inductively coupled plasma mass spectrometry (ICP-MS) for multi-elemental analysis of dissolution products during the screening of catalyst libraries for hydrogen and oxygen reactions – a technique extensively developed and applied in the authors' laboratory [2]. In addition, we will highlight both our work and relevant studies from the literature that elucidate reaction mechanisms and selectivity using advanced analytical techniques. The presentation will conclude with a discussion of the advantages and limitations of integrating real-time characterization into screening workflows, along with an outlook and future directions for the field.
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