کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1810313 1025556 2012 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Mechanical properties of graphdiyne sheet
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Mechanical properties of graphdiyne sheet
چکیده انگلیسی

The influences of strain to the energetic and electronic properties of graphdiyne are investigated based on first-principles calculations. The elastic parameters of graphdiyne are determined by total energy calculation. Compared to graphyne, graphdiyne is softer because it has less C–C bonds. Moreover, the band gap of graphdiyne is tunable under uniform strain. It monotonously increases with increasing strain value, which originates from the decreased orbital overlap between C atoms when strain increases.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 407, Issue 22, 15 November 2012, Pages 4436–4439
نویسندگان
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