General principles to high-throughput constructing two-dimensional carbon allotropes*

Project supported by the National Science Fund for Distinguished Young Scholars, China (Grant No. 51725103) and the National Natural Science Foundation of China (Grant No. 51671193). All calculations have been performed on the high-performance computational cluster in the Shenyang National University Science and Technology Park.

Xie Qing1, 2, Wang Lei1, 3, Li Jiangxu1, 3, Li Ronghan1, 3, Chen Xing-Qiu1, †
       

(a) An armchair ribbon with line-up diamonds. (b) A zigzag ribbon with zigzag arranged diamonds. The dashed cycles denote diamonds. Two neighbor diamonds share one hexagon. By rotating the interior red bonds of all diamonds, the sharing hexagons become octagons (8) and the non-sharing hexagons become pentagons (5). Finally, two strips of pentagons and octagons are constructed.