Transition-metal dichalcogenides are appealing catalysts for H2 generation from water. They tend to rely on scarce edge sites, rather than the more abundant basal-plane sites, to drive catalysis. Now, guided by computation, H-TaS2 and H-NbS2 are proposed as highly basal-plane-active catalysts that improve with electrochemical cycling.
- Danielle N. Chirdon
- Yiying Wu
