Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction
Researchers used advanced molecular dynamics simulations to study how water molecules arrange themselves near topological Weyl semimetals like NbP and TaS2 surfaces. The findings show that materials with less ordered, lower-coordination water structures, such as NbP, are more active catalysts for light-induced proton reduction than those with highly ordered water layers.