In this study, it is first time reported that benzoic acid functionalized g-C3N4 (BF-g-C3N4) sheets assisted synthesis of (0 0 1) surface-oriented MIL-88B-Fe with rod-like structure (BF-CM-rod). Pristine g-C3N4 sheets leaded to produce (1 0 1) surface-oriented MIL-88B-Fe with diamond-like structure (CM-diamond). BF-CM-rod composite catalyst achieves covalent bond links between g-C3N4 and MIL-88B-Fe, performs better separation of h+-e− pairs, and leads to excellent photo-catalytic performance for pollutant removal under visible light irradiation, with persulfate (PS) as oxidant. Its photo-activity is almost 4.2, 2.0 and 1.3 times of g-C3N4, MIL-88B-Fe and CM-diamond, respectively. A possible mechanism is proposed to explain the improved photo-catalytic performance of the Vis/BF-CM-rod/PS system. This work provides a novel way to prepare shape controlled Fe-based metal-organic frameworks formed by covalent bonds.