Two-dimensional penta-SnH monolayer for nanoelectronics and photocatalytic water splitting: a first-principles study.

Exploring two-dimensional materials with novel properties is becoming particularly important due to their potential applications in future electronics and optoelectronics. In the current work, the electronic and optical properties of penta-SnH are investigated by density-functional theory. By assessing the phonon spectrum, we find that penta-SnH monolayer is energetically more favorable compared with pristine penta-stanene due to hydrogenation transforming the sp-sp hybrid orbitals into sp hybridization.