Au-MoS 2 quantum dots (QDs) composites are ideal catalysts for a number of reactions, including the reduction of p-nitrophenol (PNP). However, the structural role of Au-MoS 2 QDs composites in their catalytic efficiency has never been investigated. In this work, a comparative study is carried out to investigate the catalytic reactivities of a gold nanorod−molybdenum disulfide quantum dots (AuNR-MoS 2 QDs) composite and a gold nanosphere−molybdenum disulfide quantum dots (AuNS-MoS 2 QDs) composite. In addition, the catalytic reactivities of a gold nanorod (AuNR) and a gold nanosphere (AuNS) are also studied. The catalytic efficiency of the as-prepared composites is then investigated for the reduction of p-nitrophenol, taken as the model reaction. The kinetics of the catalytic reduction of p-nitrophenol reveal that the AuNR-MoS 2 QDs composite demonstrates the highest catalytic efficiency, having a rate constant of 0.06 min −1 , compared to the AuNS-MoS 2 QDs composite, AuNR, and AuNS, having a rate constant of 0.023, 0.021, and 0.008 min −1 , respectively. The possible mechanism is also discussed in the paper. Finite difference time domain (FDTD) simulation was carried out to simulate the electric field intensity of the AuNR-MoS 2 QDs composite, AuNS-MoS 2 QDs composite, AuNR, and AuNS. It is observed that, in general, the electric field intensity increases for the AuNR-MoS 2 QDs and AuNS-MoS 2 QDs composites when compared with only AuNR and AuNS. Therefore, this study emphasizes understanding the structural role of AuNR-MoS 2 QDs and AuNS-MoS 2 QDs composites, which is paramount in evaluating the catalytic efficiencies as demonstrated in the reduction of aromatic nitro compounds.