扭曲二维材料中封闭水的结构相似但热力学、介电和摩擦特性不同:MoS2 与石墨烯

IF 5.8 3区 材料科学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Nanoscale Pub Date : 2024-12-17 DOI:10.1039/D4NR03821E
Jeet Majumdar, Soham Mandal, Ananth Govind Rajan and Prabal K. Maiti
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引用次数: 0

摘要

水被限制在埃级纳米通道中的水基纳米流体装置在纳米技术中被广泛使用。虽然已知约束材料对约束水的性质有显著影响,但对纳米约束水的结构与其性质之间的关系知之甚少,这影响了纳米流体装置的设计。我们探索了承压水单层在双层二硫化钼(MoS2)结构中的行为,并将其与双层石墨烯中的行为进行了比较。我们发现整个结构中只有~ 2%的部分具有接近完美的方序,其余部分都充满了菱形序。令人惊讶的是,我们发现尽管单层承压水的结构在两种二维材料中保持相同,但热力学分析表明,对于本文所探索的所有扭曲,承压水在MoS2中具有比石墨烯更有利的潜在环境。然而,随着扭转角的增加,石墨烯中水的封装效果比二硫化钼略有减弱。有趣的是,与石墨烯纳米通道中的约束水介电常数相比,MoS2中的介电常数异常低约22%。最后,我们证明了双层二硫化钼中承压水的静摩擦系数不随捻度的变化而变化。然而,与石墨烯不同的是,由于这种极端的限制,它并没有显示出数量级的降低。总的来说,我们表明,与直觉相反,尽管这里考虑的不同二维材料中的承压水结构相似,但这种结构水的其他性质存在差异。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Similar structure but different thermodynamic, dielectric, and frictional properties of confined water in twisted 2D materials: MoS2vs. graphene†

Similar structure but different thermodynamic, dielectric, and frictional properties of confined water in twisted 2D materials: MoS2vs. graphene†

Similar structure but different thermodynamic, dielectric, and frictional properties of confined water in twisted 2D materials: MoS2vs. graphene†

Water-based nanofluidic devices, where water is confined in Angstrom scale nanochannels, are widely encountered in nanotechnology. Although it is known that the material of confinement has a significant influence on the properties of confined water, much less is known of the relationship between the structure of nanoconfined water and its properties, impacting the design of nanofluidic devices. We explore the behavior of a confined water monolayer within a bilayer molybdenum disulfide (MoS2) structure, comparing its behavior with that within bilayer graphene. We find that only ∼2% of the entire structure has nearly perfect square order and the rest is filled with rhombus ordering. Surprisingly, we find that although the structure of monolayer confined water remains the same in both the 2D materials, thermodynamic analysis shows that confined water has a more favorable potential environment in MoS2 than graphene for all twists explored here. However, with increasing twist angle, the encapsulating effect of water diminishes slightly in the case of graphene than MoS2. Interestingly, the dielectric constant is anomalously lower in MoS2 by ∼22% compared to the confined water dielectric constant in a graphene nanochannel. Finally, we show that the static friction coefficient of confined water in bilayer MoS2 does not change with twist. However, unlike graphene, it does not show an order of magnitude reduction due to this extreme confinement. Overall, we show, counter-intuitively, that although confined water structures are similar in different 2D materials considered here, there exist differences in other properties of this structured water.

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来源期刊
Nanoscale
Nanoscale CHEMISTRY, MULTIDISCIPLINARY-NANOSCIENCE & NANOTECHNOLOGY
CiteScore
12.10
自引率
3.00%
发文量
1628
审稿时长
1.6 months
期刊介绍: Nanoscale is a high-impact international journal, publishing high-quality research across nanoscience and nanotechnology. Nanoscale publishes a full mix of research articles on experimental and theoretical work, including reviews, communications, and full papers.Highly interdisciplinary, this journal appeals to scientists, researchers and professionals interested in nanoscience and nanotechnology, quantum materials and quantum technology, including the areas of physics, chemistry, biology, medicine, materials, energy/environment, information technology, detection science, healthcare and drug discovery, and electronics.
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