Fabrication and mechanism exploration of oxygen-incorporated 1T-MoS2 with high adsorption performance on methylene blue

• Published in: Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2022-01, Vol.428, p.130954, Article 130954
• Main Authors: Tang, Deqi, Li, Junhua, Yang, Zhimei, Jiang, Xiaoqing, Huang, Linsen, Guo, Xinyu, Li, Yiqing, Zhu, Jianguo, Sun, Xiaosong
• Format: Article
• Language: English
• Subjects: Adsorption of methylene blue; Density functional theory calculation; Oxygen-incorporated 1T-MoS2
• ISSN: 1385-8947; 1873-3212
• DOI: 10.1016/j.cej.2021.130954

[Display omitted] •The metastable oxygen-incorporated 1T-MoS2 is synthesized by hydrothermal process at a relatively low temperature (140 ℃).•The oxygen-incorporated 1T-MoS2 exhibits ultra-high adsorption capability for cationic dyes.•The possible adsorption mechanism was revealed by DFT calculation. MoS2 along with lots of applications in many fields, also find the application in environmental governance. Here, 1T-MoS2, 1T/2H-MoS2 and 2H-MoS2 are successfully prepared by controlling the temperature of hydrothermal process, which is confirmed by the characterization of XRD, Raman spectra, XPS and TEM. And the experimental characterization results also indicate that oxygen is incorporated in the 1T-MoS2. Compared with the 2H-MoS2 prepared at relatively high temperature (220 °C), the oxygen-incorporated 1T-MoS2 synthesized at a low temperature (140 °C) exhibits excellent adsorption capacity for cationic dye of methylene blue (MB). The adsorption process is consistent with the Langmuir isotherm and the maximum monolayer adsorption capacity of 1T-MoS2 for MB is 785 mg g−1. The adsorption kinetics analysis indicates the adsorption process is dominated by chemical interaction, which is confirmed by density functional theory calculation. Furthermore, the difference between adsorption property of 2H-MoS2, and 1T-MoS2 and effect of oxygen-incorporated has also been revealed and confirmed via density functional theory calculation. This work provides a profound knowledge of different adsorption performance of MoS2 in H phase and T phase, and can be a guide to design better MoS2 based adsorbents.