Volcano plots and scaling relations are commonly used to design catalysts and understand
catalytic behavior. These plots are a useful tool due to their robust and simple analysis of …

Through a data-mining and high-throughput density functional theory approach, we identify
a diverse range of metallic compounds that are predicted to have transition metals with “free …

Single-atom alloys form an important class of material that has shown great potential in
maximizing the use of rare and expensive metals in catalysis due to their high catalytic …

Single-atom alloys (SAAs) have drawn significant attention in recent years due to their
excellent catalytic properties. Controlling the geometry and electronic structure of this type of …

Machine learning has been successfully applied in recent years to screen materials for a
variety of applications. However, despite recent advances, most screening-based machine …

The successful large-scale implementation of hydrogen as an energy vector requires high
performance electrodes and catalysts made of abundant materials. Rational materials …