Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations

Wu, Chih Chieh; Fang, Te-Hua; Lin, Jen Fin

doi:10.1016/j.micron.2012.09.007

Cited by 8 publications

(7 citation statements)

References 34 publications

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“…High-resolution spectra of C 1s, Si 2p, and O 1s of the DDMS-coated Si substrate are shown in Figures 15,16,and 17. In the C 1s spectra, the original DDMS-coated sample showed The O 1s spectra of all samples showed a single broad peak. The oxygen atoms in silane and in silica have very similar binding energy values (532.5 vs 533.0 eV).…”

Section: Industrial and Engineering Chemistry Researchmentioning

confidence: 99%

“…To date, various classes of precursor molecules have been utilized for the formation of SAMs on MEMS surfaces, such as alkyl-based and perfluoroalkyl-based silanes and several other organic molecule classes. − SAMs based on these organic silanes exhibit many advantages, including well-known deposition chemistries, facile deposition onto various substrates, and suitability for a wide variety of substitution reactions . Typically, SAM coatings can be achieved through liquid- or vapor-based deposition processes, for which similar film formation mechanisms are observed.…”

Section: Introductionmentioning

confidence: 99%

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Vapor-Phase Deposited Chlorosilane-Based Self-Assembled Monolayers on Various Substrates for Thermal Stability Analysis

Zhong

Chinn

Roberts

et al. 2017

Ind. Eng. Chem. Res.

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Chlorosilane-based self-assembled monolayers (SAMs), including octyltrichlorosilane (C8-OTS), (tridecafluoro-1,1,2,2-tetrahydrooctyl) trichlorosilane (FOTS) and dimethyldichlorosilane (DDMS), are applied on various substrates via a vapor-phase coating process for thermal stability analysis. Si(100) wafer dies and commercial vaporphase-deposited nanoparticle films are utilized as substrates to characterize the thermal stability enhancement. Atomic-force microscopy data prove that the vapor-based deposition technique results in a smooth surface with few aggregates. Contact angle goniometry data show that DDMS-based SAMs function effectively as the final protection layer for various substrates and these results are confirmed by thermogravimetric analysis of SAMs on the fumed silica supports. Quantitative analysis from X-ray photoelectron spectroscopy data shows that polymerized DDMS may exist on various surfaces and can contribute to the stable silane structures for DDMS. These test results yield improved understanding of thermal behavior of chlorosilane SAMs under high temperature and indicate that DDMS films are viable options for devices requiring low adhesion and high thermal stability.

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Section: Industrial and Engineering Chemistry Researchmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Vapor-Phase Deposited Chlorosilane-Based Self-Assembled Monolayers on Various Substrates for Thermal Stability Analysis

Zhong

Chinn

Roberts

et al. 2017

Ind. Eng. Chem. Res.

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“…Molecular dynamics (MD) simulation is very suitable for studying mechanical deformation and physical properties, providing atomic-resolution details on deformation processes that cannot be obtained experimentally. Many nanosystems have been analyzed using MD, such as nanoscratching [12,13], nanoimprinting [14,15], nanowelding [16], and nanowires [17,18].…”

Section: Introductionmentioning

confidence: 99%

Grain size effect on indentation of nanocrystalline copper

Huang

Chiang

Fang

2015

Applied Surface Science

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“…37−44 There are also plenty of MD computational contributions emphasizing the detrimental effect of excessive normal load, indentation depth, and scratched speed upon the integrity and function of SAMs. 38,[40][41][42]45,46 Typically, irreversible change and defects of SAM structure, removal of SAM molecules, and loss of function (i.e., lubricating efficiency) occur in these situations.…”

Section: ■ Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of Conformational Transition and Frictional Performance Modulation of Densely Packed Self-Assembled Monolayers Based on Electrostatic Stimulation

Shrotriya

2015

Langmuir

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Self-assembled monolayers (SAMs) terminated with functional end groups such as polyethylene glycols (PEG) have attracted considerable attention because of their unique and flexible structure that exhibits conformational transition under electrostatic stimulation. Molecular dynamics simulations are used to investigate the conformational transition and associated modulation of frictional performance of densely packed PEG-terminated SAMs subjected to electrical field stimulation. Previously reported empirical potentials and atomic charges were used to model the intrachain bonds and electrostatic and interchain interactions. Simulation results indicate that significant conformational transition is generated because of the electrostatic forces. Under positive electrical fields, PEG groups are compressed and twisted into the helical form, "gauche" state, whereas under negative electrical fields, PEG groups are stretched into the straight form, "all-trans" state. Such conformational transition may lead to substantial alteration of frictional response upon SAMs. By shallow penetration and sliding using a repulsive indenter, the SAMs under positive electrical fields exhibit a level of frictional response that is comparatively lower than those under zero and negative potentials, which may be attributed to reduced interchain space for deformation, limited conformational transition, and less energy absorption. The simulation results demonstrate that with appropriate selection of functional end groups attached to SAM backbone chains it is possible to modulate frictional performance of densely packed SAMs via electrostatic stimuli.

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Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations

Cited by 8 publications

References 34 publications

Vapor-Phase Deposited Chlorosilane-Based Self-Assembled Monolayers on Various Substrates for Thermal Stability Analysis

Vapor-Phase Deposited Chlorosilane-Based Self-Assembled Monolayers on Various Substrates for Thermal Stability Analysis

Grain size effect on indentation of nanocrystalline copper

Molecular Dynamics Simulation of Conformational Transition and Frictional Performance Modulation of Densely Packed Self-Assembled Monolayers Based on Electrostatic Stimulation

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