Modulating the properties of monolayer C<sub>2</sub>N: A promising metal-free photocatalyst for water splitting

Modulating the properties of monolayer C₂N: A promising metal-free photocatalyst for water splitting

Yu Song, Rao Yong-Chao, Duan Xiang-Mei^†

(color online) (a) Top view and side view of the geometric structure of monolayer C₂N. The brown and grey spheres represent C and N atoms, respectively. (b) Band structures of monolayer C₂N calculated by PBE (black solid lines) and HSE06 (red dashed lines). Panels (c) and (d) are the charge density corresponding to CBM and VBM, respectively. The isovalue is set to be 0.03 e Å⁻³.