High-Throughput Experimentation on Oxide Photocatalyst: From Large-Scale Screening to Kinetic Insights

Résumé fourni par la source

For the advancement of materials research, both exploration and understanding are essential, yet they are often pursued separately.Here, using photocatalysis as a model system, we combine large-scale exploration with mechanistic insight within a single high-throughput protocol.For exploration, 100 oxide compositions were selected from the Materials Project database under defined criteria.They were synthesized at 400 and 1000 °C, and evaluated by photocatalytic degradation of methylene blue under simulated solar irradiation.From this dataset, we identified promising material groups beyond those traditionally regarded as high-performing, including silver-and manganese-containing oxides.For understanding, we performed high-throughput photocatalytic performance measurements as functions of temperature and light intensity, which enabled separation of charge supply and interfacial charge transfer.Elemental composition was found to systematically tune this balance, with multivalent elements enhancing (Mn, V) charge supply and Group 3 elements (Sc, Y) promoting charge transfer.These findings demonstrate that large-scale high-throughput experimentation, when integrated with kinetic analysis, can uncover element-dependent control over competing rate processes, thereby providing insights that extend beyond candidate discovery.

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