کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5363068 | 1388296 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A Monte Carlo simulation study of Nitrogen on LiF(0 0 1)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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چکیده انگلیسی
The adsorption of N2 gas on the LiF(0 0 1) surface is studied by canonical Monte Carlo (CMC) computer simulation. These results show that N2 forms an ordered structure where the molecules are arranged in a unit cell of p(22Ã2)R45° symmetry at temperatures below 23 K with 50% coverage. The nitrogen molecules are tilted by 53° from the surface normal and have the same azimuthal orientation along diagonals, with diagonals alternating their orientation. Beyond 23 K, the molecules become azimuthally disordered but with residual short-range order. No change in the position of the peak of the polar (tilt) angle distribution was observed above the transition temperature. This transition is purely of the order-disorder type.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 256, Issue 9, 15 February 2010, Pages 2974-2978
Journal: Applied Surface Science - Volume 256, Issue 9, 15 February 2010, Pages 2974-2978
نویسندگان
A.K. Sallabi, J.N. Dawoud, D.B. Jack,