کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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5431709 | 1508822 | 2017 | 8 صفحه PDF | دانلود رایگان |
We propose three-dimensional carbon (3D-C) structures based on the Archimedean lattices (ALs) by combining sp2 bonding in the polygon edges and sp3 bonding in the polygon vertices. By first-principles calculations, four types of 3D-C ALs: (4,82), (3,122), (63), and (44) 3D-Cs are predicted to be stable both dynamically and mechanically among 11 possible ALs, in which the notations (p1,p2,â¦) are the indices of the AL structures. Depending on their indices, the 3D-C ALs show distinctive electronic properties: the (4,82) 3D-C is an indirect band-gap semiconductor, the (3,122) 3D-C is semimetal, while the (63) and (44) 3D-Cs are metals. Considering the structural deformation due to the changes in their electronic energy bands, we discuss the electromechanical properties of the 3D-C ALs as a function of charge doping. We find a semiconductor-to-metal and semimetallic-to-semiconductor transitions in the (4,82) and (3,122) 3D-Cs as a function of charge doping, respectively. Moreover, the (3,122) 3D-C exhibits a sp2-sp3 phase transformation at high charge doping, which leads to a huge 30% irreversible strain, while the reversible strain in the (4,82) 3D-C is up to 9%, and thus they are quite promising for electromechanical actuators.
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Journal: Carbon - Volume 125, December 2017, Pages 472-479