کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1864819 1037759 2013 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic and magnetic properties of hydrogenated graphene nanoflakes
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
Electronic and magnetic properties of hydrogenated graphene nanoflakes
چکیده انگلیسی

We investigated the energetic stability, electronic, and magnetic properties of hydrogenated graphene nanoflakes (GNFs) by using density-functional theory (DFT). Hydrogenated GNFs were found to be the stable heterojunction structures. As the increase of H coverage, a transition of a small-gap semiconductor to wide-gap semiconductor occurs, accompanied with a nonmagnetic (with the coverage χ=0χ=0) → magnetic (with the coverage 0<χ<10<χ<1) → nonmagnetic (with the coverage χ=1χ=1) transfer for hexagonal nanoflakes and magnetic (with the coverage 0⩽χ<10⩽χ<1) → nonmagnetic (with the coverage χ=1χ=1) transfer for triangular nanoflakes. The efficacious tune of band gaps and the magnetic moments on these nanoflakes by hydrogenation offers an effectual avenue for the applications of C-based nanomagnets.


► Hydrogenated GNFs were found to be the stable heterojunction structures.
► A transition of a small-gap semiconductor to wide-gap semiconductor occurs with the increase of H coverage.
► For hexagonal nanoflakes, a nonmagnetic → magnetic → nonmagnetic transition occurs with the increase of H coverage.
► For triangular nanoflakes, a magnetic → nonmagnetic transition occurs with the increase of H coverage.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 377, Issue 13, 17 May 2013, Pages 993–996
نویسندگان
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