Fabrication and tribological properties of self-assembled monolayer of n-alkyltrimethoxysilane on silicon: Effect of SAM alkyl chain length

Huo, Lixia; Du, Pengcheng; Zhou, Hui; Zhang, Kaifeng; Liu, Peng

doi:10.1016/j.apsusc.2016.11.049

Cited by 28 publications

(16 citation statements)

References 23 publications

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“…In general, the COF is found to decrease as the backbone chain length is increased for each terminal group chemistry. Similar trends, primarily concerning methyl-terminated films, are reported in the literature [43][44][45][46][47]96,97 demonstrating that the addition of carbons to the chain backbone correlates with a reduction in the frictional forces. 43−46 Experiments of methyl terminated alkylsilanes, examined a similar range to the simulations in this work, e.g., Xiao et al 98 considered backbone lengths of 2, 5, 7, and 17, and Lio et al 44 considered 5, 7, 11, and 17.…”

Section: Resultssupporting

confidence: 84%

MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films

Summers

Gilmer

Iacovella

et al. 2020

J. Chem. Theory Comput.

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We demonstrate how the recently developed Python-based Molecular Simulation and Design Framework (MoSDeF) can be used to perform molecular dynamics screening of functionalized monolayer films, focusing on tribological effectiveness. MoSDeF is an open-source package that allows for the programmatic construction and parametrization of soft matter systems and enables TRUE (transferable, reproducible, usable by others, and extensible) simulations. The MoSDeF-enabled screening identifies several film chemistries that simultaneously show low coefficients of friction and adhesion. We additionally develop a Python library that utilizes the RDKit cheminformatics library and the scikit-learn machine learning library that allows for the development of predictive models for the tribology of functionalized monolayer films and use this model to extract information on terminal group characteristics that most influence tribology, based on the screening data.

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Section: Resultssupporting

confidence: 84%

MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films

Summers

Gilmer

Iacovella

et al. 2020

J. Chem. Theory Comput.

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“…POSS have been widely utilized for the fabrication of hydrophobic surfaces and coatings, by virtue of their versatile features and of the possibility to easily covalently link them to polymer backbones [41][42][43][44][45]. In particular, the polyhedral structure and the high number of tunable peripheral functionalities enable us to increase the surface roughness and decrease the surface energy, simultaneously [43][44][45][46][47][48][49].…”

Section: Introductionmentioning

confidence: 99%

SiO2/Ladder-Like Polysilsesquioxanes Nanocomposite Coatings: Playing with the Hybrid Interface for Tuning Thermal Properties and Wettability

et al. 2020

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The present study explores the exploitation of ladder-like polysilsesquioxanes (PSQs) bearing reactive functional groups in conjunction with SiO2 nanoparticles (NPs) to produce UV-curable nanocomposite coatings with increased hydrophobicity and good thermal resistance. In detail, a medium degree regular ladder-like structured poly (methacryloxypropyl) silsesquioxane (LPMASQ) and silica NPs, either naked or functionalized with a methacrylsilane (SiO2@TMMS), were blended and then irradiated in the form of a film. Material characterization evidenced significant modifications of the structural organization of the LPMASQ backbone and, in particular, a rearrangement of the silsesquioxane chains at the interface upon introduction of the functionalized silica NPs. This leads to remarkable thermal resistance and enhanced hydrophobic features in the final nanocomposite. The results suggest that the adopted strategy, in comparison with mostly difficult and expensive surface modification and structuring protocols, may provide tailored functional properties without modifying the surface roughness or the functionalities of silsesquioxanes, but simply tuning their interactions at the hybrid interface with silica fillers.

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“…53−55 SAMs with a chain length shorter than 8 carbon atoms have a higher friction than SAMs with a longer chain length (≥12 carbon atoms). 56,57 The effective interactions between the ordered long-chained assembled molecules result in a blocking layer under the shearing force without disorder, resulting in lower friction. 45,50,55 The friction at the surface of disordered SAMs is higher than for ordered SAMs.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

“…On the other hand, it has been reported that the order and thickness of SAMs strongly influence their friction properties. − SAMs with a chain length shorter than 8 carbon atoms have a higher friction than SAMs with a longer chain length (≥12 carbon atoms). , The effective interactions between the ordered long-chained assembled molecules result in a blocking layer under the shearing force without disorder, resulting in lower friction. ,, The friction at the surface of disordered SAMs is higher than for ordered SAMs. However, the irradiated areas are expected to be more disordered than the masked areas without significant decrease in their thicknesses. , Therefore, the changes in the thickness and disorder of the irradiated areas did not contribute to the friction decrease in these areas.…”

Section: Resultsmentioning

confidence: 99%

Vacuum Ultraviolet Treatment of Acid- and Ester-Terminated Self-Assembled Monolayers: Chemical Conversions and Friction Reduction

et al. 2018

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We have prepared COOH- and COOCH-terminated self-assembled monolayers (SAMs) from undec-10-enoic acid (UDA) and methyl undec-10-enoate (MUDO) molecules on hydrogen-terminated silicon (H-Si) substrates through ultraviolet (UV) irradiation. The as-prepared UDA- and MUDO-SAMs were exposed to 172 nm vacuum-UV (VUV) light in a high vacuum environment (HV, <10 Pa) for different periods. The presence of COO components at the surfaces of these SAMs without prior oxidation would simplify the understanding of the origin of the chemical conversions and the changes of surface properties, as the prior oxidation would change the surface properties and generate different oxygenated groups. After the HV-VUV treatment, the abundance of COOH and COOCH components of these SAMs decreased without significant dissociation of their C-C backbones. Degradation of these components occurred through dissociating their C-O bonds, resulting in different C═O components. Also, the occurrence of Norrish type pathways resulted in a slight decrease of carbon content and produced CH components. We have applied the HV-VUV lithography to control the abundance of COOH and COOCH components in well-defined areas and to investigate the friction differences between the irradiated and masked areas. The irradiated areas exhibited lower friction than the masked areas without observing significant height contrasts between these areas. The reduction in friction was attributed to the conversion of the COOH and COOCH components to less adhesive components such as C═O and CH. These experiments suggest the HV-VUV treatments as an approach for low damage dry surface modifications and reductive lithographic techniques at surfaces terminated by acid and ester groups.

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Fabrication and tribological properties of self-assembled monolayer of n-alkyltrimethoxysilane on silicon: Effect of SAM alkyl chain length

Cited by 28 publications

References 23 publications

MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films

MoSDeF, a Python Framework Enabling Large-Scale Computational Screening of Soft Matter: Application to Chemistry-Property Relationships in Lubricating Monolayer Films

SiO2/Ladder-Like Polysilsesquioxanes Nanocomposite Coatings: Playing with the Hybrid Interface for Tuning Thermal Properties and Wettability

Vacuum Ultraviolet Treatment of Acid- and Ester-Terminated Self-Assembled Monolayers: Chemical Conversions and Friction Reduction

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