کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5450300 1512862 2017 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A planar carbon allotrope with linear bipentagon-octagon and hexagon arrangement
ترجمه فارسی عنوان
آلوتروپ کربن پلارک با خط دو طرفه و هشت ضلعی و شش ضلعی
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
چکیده انگلیسی
A two-dimensional (2D) metallic carbon allotrope is proposed, which consists of linearly aligned bipentagon-octagon and hexagon rings in a planar sheet. The relatively high percentage of hexagon and the regular arrangement of the polygons make it energetically more favorable than most of other predicted 2D carbon allotropes. Phonon dispersions without negative frequencies also indicate its stability. Electronic structure calculations show that its metallic nature is mainly due to the atoms shared by the pentagon, hexagon and octagon. Its lattice thermal conductivity is only about one fifth of that of graphene. Armchair- and zigzag-edged nanoribbons of this structure are also studied. The former is metallic while the latter has a small band gap due to the spin-polarized edge states. The appropriate band gap and the significantly reduced thermal conductivity suggest potential applications in thermoelectricity.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 87, March 2017, Pages 107-111
نویسندگان
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