Obtaining highly stable 1T-MoS₂ is very crucial to investigate the hydrogen evolution reaction (HER) due to the thermodynamically metastable characterization of 1T-MoS₂. Currently, the preparation of pure phase and stable 1T-MoS₂ is a big challenge, which limits the investigation of MoS₂ as an electrocatalyst for better HER performance. In this study, highly stable MoS₂ with different 1T content was prepared by magneto-hydrothermal synthesis, showing that the pure 1T-MoS₂ has the best HER performance with an overpotential of 189 mV at the current density of 10 mA cm⁻² amongst the MoS₂ electrocatalysts with different 1T content. Furthermore, magneto-hydrothermal-synthesized highly stable and pure 1T-MoS₂ was modified with Ru nanoparticles to improve the HER activity, delivering very low overpotential of 81 mV at a current density of 10 mA cm⁻², small Tafel slope of 54 mV dec⁻¹ as well as long stability. Theoretical analysis based on density functional theory shows that 1T-MoS₂ has a lower Gibbs free energy change of adsorbed hydrogen (ΔG_H*) (1.26 eV) as compared with that of 2H-MoS₂ (1.96 eV), and 1T-MoS₂ with Ru modification will obviously suppress the ΔG_H* (0.02 eV). This work confirms that 1T-MoS₂ is efficient as an HER catalyst and Ru modification can further improve the electrocatalytic HER activity.

中文翻译：

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高度稳定的 1T-MoS2 通过磁水热合成和 Ru 改性用于高效的析氢反应

_{由于 1T-MoS 2}的热力学亚稳态表征，获得高度稳定的 1T-MoS ₂对研究析氢反应 (HER) 至关重要。目前，制备纯相和稳定的1T-MoS ₂是一个很大的挑战，这限制了MoS ₂作为电催化剂以获得更好的HER性能的研究。在本研究中，通过磁水热合成制备了具有不同1T含量的高度稳定的MoS ₂，表明纯1T-MoS _{2在10 mA cm} ^-2的电流密度下具有最佳的HER性能，其过电位为189 mV 。_二硫化钼不同1T含量的电催化剂。此外，磁水热法合成的高度稳定和纯的1T-MoS _{2用Ru纳米粒子改性以提高HER活性，在10 mA cm} ^-2的电流密度和54 mV的小Tafel斜率下提供81 mV的极低过电位dec ^-1以及长期稳定性。基于密度泛函理论的理论分析表明，1T-MoS ₂的吸附氢吉布斯自由能变化（Δ G _H*）（1.26 eV）低于2H-MoS ₂（1.96 eV）和1T-带有Ru修饰的MoS ₂会明显抑制Δ G _H*(0.02 eV)。这项工作证实了1T-MoS ₂作为HER催化剂是有效的，并且Ru修饰可以进一步提高电催化HER活性。