Toward Programmable Reactivity in Energy Conversion
Invited Perspective from Jesús Velázquez in Chem. Mater
In a recent Chemistry of Materials perspective article featured in the “Up and Coming” early career scientist special issue, the Velázquez lab shed light on the immense promise of multinary metal chalcogenides as tunable energy materials. These materials have applications in catalysis, advanced multivalent batteries, electronics, and many others.
Compositional and structural modifications can afford profound and strongly interrelated changes to both stability and reactivity, and as such, pinpointing dominant drivers of functionality requires a holistic analysis of new materials. This work highlights that synergy between experimentalists and theoreticians will pave the way to rational and expedited materials discovery by simultaneously considering functionality and synthesizability in predictive models.
More information at https://pubs.acs.org/doi/full/10.1021/acs.chemmater.1c01983