Polymer Science Faculty Research
Title
Structure of CF4 multilayers on (0001) surfaces of graphite and hydroxylated $alpha$-quartz: A molecular dynamics study
Document Type
Article
Publication Date
Fall 2009
Abstract
We present findings from a recent molecular dynamics study of multilayer adsorption of tetrafluoromethane (CF(4)) onto two atomically flat but chemically and structurally different substrates: graphite (hydrophobic) and hydroxylated alpha-quartz (hydrophilic). Simulations in this study were carried out at temperatures in the range of 60-120 K. Subsequent analysis shows that the structure and character of the substrate surface play a large role in whether adsorbed films exhibit packing arrangements that are highly ordered or are subject to a high degree of temperature dependence. Additionally, flexible hydroxyl groups on the surface of hydroxylated alpha-quartz are shown to arrange themselves in a zig-zag pattern that creates an array of hexagonal domains which determine the allowed CF(4) adsorption sites.
Volume
603
First Page
3374
Last Page
3381
Recommended Citation
Tsige, Mesfin, "Structure of CF4 multilayers on (0001) surfaces of graphite and hydroxylated $alpha$-quartz: A molecular dynamics study" (2009). Polymer Science Faculty Research. 354.
https://ideaexchange.uakron.edu/polymerscience_ideas/354