کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5423478 | 1395791 | 2009 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Structure of CF4 multilayers on (0 0 0 1) surfaces of graphite and hydroxylated α-quartz: A molecular dynamics study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
We present findings from a recent molecular dynamics study of multilayer adsorption of tetrafluoromethane (CF4) onto two atomically flat but chemically and structurally different substrates: graphite (hydrophobic) and hydroxylated α-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 α-quartz are shown to arrange themselves in a zig-zag pattern that creates an array of hexagonal domains which determine the allowed CF4 adsorption sites.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 603, Issue 23, 1 December 2009, Pages 3374-3381
Journal: Surface Science - Volume 603, Issue 23, 1 December 2009, Pages 3374-3381
نویسندگان
Gary Leuty, Jonathan Nehring, Mesfin Tsige,