Abstract Molybdenum disulfide (MoS2) has emerged as a promising electrode for capacitive deionization (CDI) process. Increasing intrinsic conductivity of MoS2 is critical for further improvement of CDI performance. In this work, the effects of oxygen incorporation in MoS2 nanosheets on CDI performance were investigated. High-electronegative oxygen heteroatom incorporation into MoS2 nanosheets was realized via a facile hydrothermal method. The oxygen-incorporated MoS2 generated a dramatically improved CDI performance compared to pristine MoS2 nanosheets. The optimized MoS2 electrode with moderate degree of oxygen incorporation (2.91 at.%) exhibited the highest desalination capacity of 28.85 mg/g in 500 mg/L NaCl solution. The enhancement was found that oxygen incorporation could effectively improve the intrinsic conductivity and expose more active sites, leading to a higher specific capacitance and lower inner resistance. Besides, the oxygen-incorporated MoS2 with achieved balance between structure and active sites could reach the highest desalination capacity. This finding indicated that heteroatom incorporation into MoS2 could be a new way to enhance CDI performance.

中文翻译：

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掺氧二硫化钼纳米片作为电极用于增强电容去离子

摘要 二硫化钼 (MoS2) 已成为一种很有前途的电容去离子 (CDI) 工艺电极。提高 MoS2 的固有电导率对于进一步提高 CDI 性能至关重要。在这项工作中，研究了氧掺入二硫化钼纳米片对 CDI 性能的影响。高电负性氧杂原子掺入 MoS2 纳米片是通过简单的水热法实现的。与原始的 MoS2 纳米片相比，掺入氧的 MoS2 产生了显着改善的 CDI 性能。具有中等氧结合度 (2.91 at.%) 的优化 MoS2 电极在 500 mg/L NaCl 溶液中表现出最高的脱盐能力，为 28.85 mg/g。研究发现，氧的掺入可以有效提高本征电导率并暴露更多的活性位点，从而导致更高的比电容和更低的内阻。此外，在结构和活性位点之间达到平衡的掺氧MoS2可以达到最高的脱盐能力。这一发现表明，杂原子掺入 MoS2 可能是提高 CDI 性能的一种新方法。