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) A SWD is formed by rotating the interior bond of a diamond unit. (b) An iSWD is formed by adding two extra atoms onto the parallel bond pair. By adding two extra atoms to the 2nd and 1st bond pairs, a 4-atom ring in (c) and a 3-atom ring in (d) are formed, respectively.