WS2 在潮湿环境中的摩擦机理：通过 DFT 计算和滑动摩擦实验研究 H2O 吸附情况

IF 6.1 1区工程技术 Q1 ENGINEERING, MECHANICAL

Tribology International Pub Date : 2024-11-22 DOI:10.1016/j.triboint.2024.110416

Yuqian Huang , Haiyang Gao , Kaihuan Yu , Zhenwei Niu , Zaixiu Yang , Bin Zhang , Kaixiong Gao , Junyan Zhang , Ahmet T. Alpas

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引用次数: 0

摘要

由于二硫化钨在真空中摩擦力小，因此越来越多地应用于太空和核领域，但在潮湿环境中摩擦力会急剧增加。摩擦力的增加通常被归因于二硫化钨的氧化。本研究通过滑动摩擦实验结合密度泛函理论计算，研究了 WS2 在潮湿环境中的摩擦行为。结果表明，摩擦力的增加可归因于吸附的 H2O 在 WS2 层间形成了 O-H-S 型界面氢键，而没有明显的氧化作用。这种相互作用增强了层间结合力和粘附力，从而提高了摩擦力。这项研究从原子学角度揭示了 WS2 的摩擦机理，并为可在潮湿环境中使用的薄膜提供了设计指南。

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Friction mechanisms of WS2 in humid environments: Investigating H2O adsorption via DFT computations and sliding friction experiments

Tungsten disulfide is increasingly used for space and nuclear applications owing to its low friction in vacuum, but the friction increases drastically in humid environments. The increased friction has been conventionally attributed to the oxidation of WS₂. This study investigated the frictional behaviour of WS₂ in humid atmospheres through sliding friction experiments combined with density functional theory computations. The results showed that the increased friction can be attributed to the formation of O-H···S type interfacial hydrogen bonds between WS₂ layers by adsorbed H₂O, without significant oxidation. This interaction led to enhanced interlayer bonding and adhesion, consequently elevating friction. This study provides atomistic insights into the friction mechanism of WS₂ and design guidelines for thin films operatable in humid environments.

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来源期刊

Tribology International 工程技术-工程：机械

CiteScore

10.10

自引率

16.10%

发文量

627

审稿时长

35 days

期刊介绍： Tribology is the science of rubbing surfaces and contributes to every facet of our everyday life, from live cell friction to engine lubrication and seismology. As such tribology is truly multidisciplinary and this extraordinary breadth of scientific interest is reflected in the scope of Tribology International. Tribology International seeks to publish original research papers of the highest scientific quality to provide an archival resource for scientists from all backgrounds. Written contributions are invited reporting experimental and modelling studies both in established areas of tribology and emerging fields. Scientific topics include the physics or chemistry of tribo-surfaces, bio-tribology, surface engineering and materials, contact mechanics, nano-tribology, lubricants and hydrodynamic lubrication.