کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7851807 | 1508856 | 2015 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Three dimensional graphdiyne polymers with tunable band gaps
ترجمه فارسی عنوان
پلیمرهای گرافیتی سه بعدی با شکافهای کانال قابل تنظیم
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی (عمومی)
چکیده انگلیسی
Four three-dimensional graphdiyne polymers, namely Tri-C18, Hex-C36, Tri-C54, and Orth-C72, are predicted with first principles calculations. These carbon allotropes are constituted with interlinked sp3-hybridized carbon pillars and sp2-hybridized graphene-like nanoribbons. Graphdiyne polymers are energetically more stable than C60 and graphdiyne, and show lower phase transition energy barriers from AA-graphdiyne than that of graphite-diamond transition. Except for the semimetallic Tri-C18, these polymers show narrow direct (or quasi-direct) band gap of 1.55-1.74Â eV. The porous structure and the high in-plane Young's modulus of graphdiyne sheet are inherited by these polymers. Meanwhile, a greatly enhanced Young's modulus as high as ca. 1Â TPa along the direction perpendicular to graphdiyne sheet and high hardness are developed in these systems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Carbon - Volume 91, September 2015, Pages 518-526
Journal: Carbon - Volume 91, September 2015, Pages 518-526
نویسندگان
Meng Hu, Yilong Pan, Kun Luo, Julong He, Dongli Yu, Bo Xu,