Density Functional Theory-Based Modeling of Half-metallic g-C3N4/CoN4 Heterojunction for Photocatalytic Water Splitting Reaction

Using DFT, we have investigated the structural, optical, electronic and magnetic properties of g-C 3 N 4 and CoN 4 composite to explore the effect of the heterojunction on the photocatalytic performance of g-C 3 N 4 .