Romain Claes

Optimizing the thermoelectric performance of the earth-abundant layered phosphide BaCuP through defect engineering

Thermoelectric materials offer a direct route for converting waste heat into electricity, but the discovery of efficient, sustainable, and non-toxic compounds remains a major challenge. Here, we investigate the thermoelectric potential of the layered 1-1-1 phosphide BaCuP using a combination of hybrid density functiona...