부산대학교 도서관

In this paper, Co-doped MoS2 photocatalysts were prepared by hydrothermal method to achieve degradation of high concentration of rhodamine B under visible light. A series of characterization methods combined with photocatalytic properties and trapping agent tests were used to test and characterize MoS2 and CoxMo1–xS2 and found that the CoxMo1–xS2 crystal structure was consistent with MoS2 when the Co doping ratio was below 15%. Co doping causes MoS2 to form petal-like structures with more reactive sites; increases the visible light absorption intensity of MoS2 and reduces the forbidden bandwidth; and accelerates the migration of photogenerated carriers. Degradation experiments showed that the Co0.05Mo0.95S2 catalyst had the best photocatalytic effect with a decolorisation rate of 76.22% when doped with a 5% molar ratio of Co, and the photocatalytic effect was improved by 61% compared to pure MoS2. The capture agent tests demonstrate that the photocatalytic degradation process is h+ initiated and that the photocatalytic performance and chemical properties are stable after cycling tests. Based on density general function theory to construct a computational model of MoS2 and Co0.05Mo0.95S2, calculations using the first nature principle reveal that Co doping generates impurity energy levels in the MoS2 energy band structure, lowering the MoS2 band gap; disrupting the MoS2 charge distribution, forming a local potential difference in the semiconductor and promoting charge transfer. The reduced work function of the doped system enhances the ability of the photogenerated carriers inside the semiconductor to transfer to the surface, enhancing photocatalytic efficiency.