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Structure of multilayers on (0 0 0 1) surfaces of graphite and hydroxylated -quartz: A molecular dynamics study by Gary Leuty; Jonathan Nehring; Mesfin Tsige is a Physics and Astronomy article available to read on EtoBox.

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We present findings from a recent molecular dynamics study of multilayer adsorption of tetrafluoromethane ðCF 4 Þ onto two atomically flat but chemically and structurally different substrates: graphite (hydrophobic) and hydroxylated a-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 a-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.

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Author

Gary Leuty; Jonathan Nehring; Mesfin Tsige

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0039-6028)

Published

2009

Language

EN

Field

Physics and Astronomy (Physical Sciences)