Optimizing g‐C3$_3$N4$_4$‐Based Acceptor Materials Through Density Functional Theory‐Driven Bandgap Engineering for High‐Performance Solar Cells

sheet and the organic molecular plane became ≈ 90°, which minimizes the recombination rate of electron-hole pairs. By emphasizing the bandgap engineering of these composites, this work offers a strategy to enhance optoelectronic activity through the introduction of foreign organic moieties into the matrix.