High-Throughput Methods for Accelerated Catalyst Discovery

The development of efficient catalysts is a critical need, driven by the ever-growing demand for process efficiency and environmental concerns related to greenhouse gas emissions and waste generation. Discovering a new catalyst and developing it into a deployable form is a slow process that can take more than 10 years, based on the conventional one-at-a-time approach. High-throughput Experimentation (HTE) has evolved as a revolutionary approach to overcome the limitations of conventional methods. The application of HTE in catalysis research has significantly accelerated the discovery of efficient catalysts and optimal reaction conditions in a number of relevant reactions. Earlier review papers extensively described the applications of HTE in various heterogeneously and homogeneously catalyzed transformations. In this review, we further explore the origin and evolution of the HTE approach and show how its early developments paved the way for today’s cutting-edge advances. We outline key advances in miniaturization, parallelization, and automation, enabling technologies behind various HTE modules and systems for catalyst synthesis and reactor design for parallel catalyst screening. To emphasize improvements achieved by applying HTE methods, the review further describes recent applications of batch and continuous-flow HT modes for reaction of high practical relevance, such as C–C bond formation, nitric oxide (NO) and carbon monoxide (CO) oxidation, alkene epoxidation, and carbon dioxide (CO 2 ) conversion. Finally, perspectives are provided suggesting synergizing HTE with data-driven methods, such as machine learning, artificial intelligence, and autonomous workflows, as crucial next steps to further unlock catalyst innovation and integrate catalyst discovery with process engineering.