Abstract
Cross-linked chemisorbed n-alkylsilane (CH3(CH2)n-1Si(OH)3) 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.
Original language | English |
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Article number | 639 |
Journal | Nanomaterials |
Volume | 9 |
Issue number | 4 |
DOIs | |
Publication status | Published - Apr 2019 |
Keywords
- Adsorption
- Chemisorption
- Cross-polymerization
- Molecular dynamics
- Physisorption
- Self-assembled monolayers
- Surface science
- Tribology
ASJC Scopus subject areas
- General Chemical Engineering
- General Materials Science