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Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation. | LitMetric

AI Article Synopsis

  • The study investigates cross-linked alkylsilane monolayers on silica surfaces, comparing their structure and friction performance to non-cross-linked versions.
  • It is the first time that the effects of siloxane cross-linkages and the amount of chains attached to the surface were isolated, offering new insights into molecular-level structures.
  • Findings show that while both factors influence the structure of short-chain monolayers, they do not significantly affect their frictional performance.

Article Abstract

Cross-linked chemisorbed -alkylsilane (CH(CH)Si(OH)) monolayers on amorphous silica surfaces have been studied and their structural properties and frictional performance were compared to those of equivalent monolayers without cross-linkages. The simulations isolated for the first time the effects of both siloxane cross-linkages and the fraction of chains chemisorbed to the surface, providing insight into a longstanding fundamental question in the literature regarding molecular-level structure. The results demonstrate that both cross-linkages and the fraction of chemisorbed chains affect monolayer structure in small but measurable ways, particularly for monolayers constructed from short chains; however, these changes do not appear to have a significant impact on frictional performance.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6523262PMC
http://dx.doi.org/10.3390/nano9040639DOI Listing

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