Dataset Information

Water adsorption on MoS₂ under realistic atmosphere conditions and impacts on tribology.

ABSTRACT: Molybdenum disulfide (MoS₂) is a 2D material widely used as a dry lubricant. However, exposure to water and oxygen is known to reduce its effectiveness, and therefore an understanding of the uptake of water is important information for mitigating these effects. Here we use grand canonical Monte Carlo simulations to rigorously study water adsorption on MoS₂ surfaces and edges with different concentrations of defects under realistic atmospheric conditions (i.e. various temperatures and humidity levels). We find that the amount of water adsorbed depends strongly on the number of defects. Simulations indicate that defect sites are generally saturated with water even at low ppm levels of humidity. Water binds strongly to S vacancies on interlamellar surfaces, but generally only one water molecule can fit on each of these sites. Defects on surfaces or edges of lamellae also strongly attract water molecules that then nucleate small clusters of water bonded via hydrogen bonding. We demonstrate that water preferentially binds to surface defects, but once those are saturated at a critical humidity level of about 500-1000 ppm water, water binds to edge sites where it negatively impacts the tribological performance of MoS₂.

SUBMITTER: Bobbitt NS

PROVIDER: S-EPMC10843291 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature

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Water adsorption on MoS2 under realistic atmosphere conditions and impacts on tribology.

Bobbitt N Scott NS Curry John F JF Babuska Tomas F TF Chandross Michael M

RSC advances 20240101 7

Molybdenum disulfide (MoS2) is a 2D material widely used as a dry lubricant. However, exposure to water and oxygen is known to reduce its effectiveness, and therefore an understanding of the uptake of water is important information for mitigating these effects. Here we use grand canonical Monte Carlo simulations to rigorously study water adsorption on MoS2 surfaces and edges with different concentrations of defects under realistic atmospheric conditions (i.e. various ...[more]

PMID: 38318617

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Project description:Micro- and nanotexturing on hard biomaterials have shown advantages for tissue engineering and antifouling applications. However, a growing number of studies have also shown that texturing may cause an increase in friction, demanding further research on the tribological effects of texturing under physiological conditions. This study investigates the tribological effects of micro- and nanopore patterns on hard hydrophilic silicon sliding against soft hydrophobic polydimethylsiloxane (PDMS) immersed in aqueous liquids with various viscosities, simulating the sliding of a textured implant surface against soft tissues. The experimental results show that silicon surfaces with pore textures at both micro- and nanoscale feature sizes confer a higher coefficient of friction (COF) than an untextured one. It is attributed to the texture's edge effect caused by the periodic pore patterns between the two sliding objects with a large difference in material stiffness. For the same solid area fraction, nanopored surfaces show a higher COF than micropored surfaces because of the significantly higher texture edge length per unit area. For micropored surfaces with a similar length of texture edge length per unit area, the COF increases more significantly with the increase in pore size because of the greater stress at the rims of the larger pores. The COFs of both micro- and nanoscale pores generally decrease from ∼10 to 0.1 with an increase in the surrounding aqueous viscosity, indicating the transition from a boundary lubrication to a mixed lubrication regime while mostly remaining in boundary lubrication. In contrast, the COF of an untextured surface decreases from ∼1 to 0.01, indicating that it mostly remains in the mixed lubrication regime while showing the tendency toward hydrodynamic lubrication. Compared to a hydrophilic hard probe sliding against a textured hydrophobic soft substrate, the hydrophobic soft probe sliding against a textured hydrophilic hard substrate produces a significantly higher COF under similar physiological conditions due to the larger edge effect.

Project description:BackgroundAntimicrobial materials or surfaces are advertised as part of infection prevention bundles. However, the efficacy of such antimicrobial surfaces has not been sufficiently investigated in hospitals. In this study, the antimicrobial activity of examination gloves with light-activated antimicrobial properties against Gram-positive microorganisms was investigated modelling real live conditions.MethodIn a standardized experimental set-up with dry and realistic contamination, the antimicrobial properties of gloves claiming light dependent antimicrobial activity against Gram-positive organisms were tested in comparison with conventional examination gloves. All gloves were contaminated through a standardized activity of the test persons for construction with contaminated building blocks. For contamination suspensions of Enterococcus faecium ATCC 6057, Acinetobacter baumannii (outbreak strain), methicillin resistant Staphylococcus aureus ATCC 43300 or E. faecium (VRE) patient isolate were dried on the surfaces. After the standardized activity, the gloves were held for 10 min in the light present in the room (bright conditions) and the grade of contamination was determined subsequently by quantitative culture. In one experimental series gloves were held in a dark box after contamination as a control (dark conditions).ResultsThe light intensity in all experiments under bright conditions was significantly above the limit value specified by the manufacturer for the activation of antimicrobial properties (> 500 lx). The mean values for experiments with antimicrobial active and non-active gloves were 955 and 935 lx, respectively. As claimed by the manufacture, the gloves showed no sufficient efficacy against A. baumannii under bright conditions. Against Gram-positive microorganisms such as E. faecium, E. faecium (VRE) and methicillin resistant S. aureus the gloves showed only very low antimicrobial activity with a reduction factor < 1 log10 even after 10 min in bright conditions. Interestingly, comparable results for experiments with A. baumannii and E. faecium were shown under dark conditions.ConclusionThe lack of activity of the active principle against Gram-negative microorganisms could be confirmed. The reduction factors of > 4 log10 within 5 min for Gram-positive microorganisms claimed for the product using a standard test procedure (ASTM D7907) could not be confirmed in a realistic experimental test set-up even after 10 min of light exposure. The effectiveness against Gram-positive microorganisms should be further investigated under realistic (dry) conditions, including patient care. At this stage, the use of supposedly antimicrobial gloves should not be recommended, as the belief in their efficacy may encourage the misuse of gloves.

Dataset Information

Water adsorption on MoS₂ under realistic atmosphere conditions and impacts on tribology.

Publications

Water adsorption on MoS<sub>2</sub> under realistic atmosphere conditions and impacts on tribology.

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