Interfacial Electronic States of GeC/g-CN van der Waal Heterostructure with Promising Photocatalytic Activity via Hydrogenation.

The bandgap of most known two-dimensional materials can be tuned by hydrogenation, although certain 2D materials lack a sufficient wide bandgap. Currently, it would be perfect to design non-toxic, low-cost, and high-performance photocatalysts for photocatalytic water splitting via hydrogenation. We systematically examine the impact of hydrogenation on the optical and electronic characteristics of GeC/g-CN vdW heterostructures (vdWHs) with four different stacking patterns using first-principles calculations.