MoS along with lots of applications in many fields, also find the application in environmental governance. Here, 1T-MoS, 1T/2H-MoS and 2H-MoS 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-MoS. Compared with the 2H-MoS prepared at relatively high temperature (220 °C), the oxygen-incorporated 1T-MoS 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-MoS for MB is 785 mg g. 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-MoS, and 1T-MoS and effect of oxygen-incorporated has also been revealed and confirmed density functional theory calculation. This work provides a profound knowledge of different adsorption performance of MoS in H phase and T phase, and can be a guide to design better MoS based adsorbents.

中文翻译：

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对亚甲基蓝具有高吸附性能的掺氧1T-MoS2的制备及机理探讨

MoS除了在许多领域都有大量应用外，在环境治理中也有应用。通过控制水热过程的温度，成功制备了1T-MoS、1T/2H-MoS和2H-MoS，并通过XRD、拉曼光谱、XPS和TEM表征证实了这一点。实验表征结果也表明1T-MoS中掺入了氧。与较高温度（220℃）制备的2H-MoS相比，低温（140℃）合成的掺氧1T-MoS对亚甲基蓝（MB）阳离子染料表现出优异的吸附能力。吸附过程符合Langmuir等温线，1T-MoS对MB的最大单层吸附容量为785 mg·g。吸附动力学分析表明吸附过程以化学相互作用为主，密度泛函理论计算也证实了这一点。此外，还揭示了2H-MoS和1T-MoS的吸附性能差异以及掺氧效应，并通过密度泛函理论计算得到证实。这项工作提供了对MoS2在H相和T相中不同吸附性能的深刻了解，并且可以指导设计更好的MoS2基吸附剂。