کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1785405 | 1023379 | 2015 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A close look at the motion of C60 on gold
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A close look at the motion of C60 on gold A close look at the motion of C60 on gold](/preview/png/1785405.png)
چکیده انگلیسی
In this paper, we have studied the motion of buckminsterfullerene (C60) on a gold surface by analyzing its potential energy and using classical molecular dynamics method. The results can be employed to investigate the motion of C60-based nanocars which have been made in recent years. For this purpose, we have studied the translational and rotational motions of C60 molecule independently. First, we have calculated the potential energy of a C60 molecule on a gold surface in different orientations and positions and employed this data to predict fullerene motion by examining its potential energy. Then we have simulated the motion of C60 at different temperatures using classical molecular dynamics methods. Specifying the regime of the motion at different temperatures is one of main goals of this paper. We have found that the rotational motion of C60 molecule on the gold substrate, was easier than its sliding (translational) motion. Also, the regime of motion of fullerene depended on temperature. The results demonstrate that three different regimes of motion, dependent on temperature, could be observed: rare jumps to adjacent cells, frequent jumps, and continuous motion. Employing the results of this paper not only helps to understand the C60 motion on the gold surface but also provides an appropriate tool for realizing motion of the thermally-driven fullerene-based nanocars.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Applied Physics - Volume 15, Issue 11, November 2015, Pages 1402-1411
Journal: Current Applied Physics - Volume 15, Issue 11, November 2015, Pages 1402-1411
نویسندگان
Hossein Nejat Pishkenari, Alireza Nemati, Ali Meghdari, Saeed Sohrabpour,