کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1809791 1525209 2014 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theoretical investigation of endohedral complexes of Si and Ge with C60 molecule
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Theoretical investigation of endohedral complexes of Si and Ge with C60 molecule
چکیده انگلیسی

The electronic and magnetic properties of Si and Ge doped C60 fullerene are investigated with ab initio density functional theory calculations. In endohedral Sin (n=1–10) and Gen (1–9) doped C60 complexes we have seen that Si and Ge doped complexes are stable up to 9 and 4 atoms, respectively. We have also investigated binding energy and ionization potential of the endohedral fullerene C60. Endohedral fullerenes have been found to be more chemically reactive. Mullikan charge analysis shows the presence of the magnetic moment in these systems.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 437, 15 March 2014, Pages 47–52
نویسندگان
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