Rong Liu

Two-Dimensional Molybdenenes: Superconductivity and Strain-Induced Charge Density Wave.

Molybdenene was recently synthesized, yet its theoretically proposed structure shows dynamic instability, making its ground-state structure elusive. Here, we resolve this via first-principles calculations combining structural search, phonon analysis, and electron-phonon coupling. We identify a stable monoclinic α phase...