Two-dimensional (2D) semiconductors with suitable band gaps, high carrier mobility, and environmental stability are crucial for applications in the next generation of electronics and optoelectronics. However, current candidate materials each have one or more issues. In this work, two novel C(3)N(2) monolayers, P-C(3)N(2) and I-C(3)N(2) are proposed by first-principles calculations. Both structures have demonstrated excellent dynamical and mechanical stability, with thermal stability approaching 3000 K. Importantly, P-C(3)N(2) shows a distinct advantage in formation energy compared to currently...
