▎ 摘　　要

NOVELTY - A two-dimensional layered dirac material simulation designing method involves sequentially expanding single-layer graphene cells by 2x 2 times and further expanding by 3x 3 times, extending 3x 3 times of graphene cells to delete carbon atoms on the six rings of center, leaving isolated carbon atoms and expanding the six rings, adding the second main group atom to the single bond between the remaining carbon atoms, replacing the remaining carbon atoms in the structure with the fourth main group atom, optimizing the structure to obtain the finished product. USE - Method for simulation designing two-dimensional layered dirac material. ADVANTAGE - The method enables simulation designing two-dimensional layered dirac material with high accuracy and better in repeatability, is simple.