Mechanisms of the epitaxial growth of two-dimensional polycrystals  

作　　者：Jichen Dong Yunqi Liu Feng Ding 

机构地区：[1]Centre for Multidimensional Carbon Materials,Institute for Basic Science,Ulsan,44919,Korea [2]Beijing National Laboratory for Molecular Sciences,Key Laboratory of Organic Solids,Institute of Chemistry,Chinese Academy of Sciences,Beijing,100190,P.R.China [3]University of Chinese Academy of Sciences,Beijing,100049,P.R.China [4]School of Materials Science and Engineering,Ulsan National Institute of Science and Technology,Ulsan,44919,Korea

出　　处：《npj Computational Materials》2022年第1期1016-1026,共11页计算材料学（英文）

基　　金：The authors acknowledge support from the Institute for Basic Science(IBS-R019-D1);South Korea,the Chinese Academy of Sciences,and the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB30000000),P.R.China.

摘　　要：In the epitaxial growth of two-dimensional(2D)materials on substrates,2D polycrystals with various shapes have been broadly observed,but their formation mechanisms are still highly elusive.Here we present a complete study on the formation mechanisms of various 2D polycrystals.The structures of the 2D polycrystals are dependent on the symmetries of both the 2D material and the substrate.We build four complete libraries of 2D polycrystals for(i)threefold symmetric 2D materials on two-or six-fold symmetric substrates(i.e.,family-Ⅲ/Ⅱor-Ⅲ/Ⅵ),(ii)threefold symmetric 2D materials on fourfold symmetric substrates(i.e.family-Ⅲ/Ⅳ),(iii)fourfold symmetric 2D materials on three-or six-fold symmetric substrates(i.e.,family-Ⅳ/Ⅲor-Ⅳ/Ⅵ),and(iv)sixfold symmetric 2D materials on fourfold symmetric substrates(i.e.,family-Ⅵ/Ⅳ),respectively.The four libraries of 2D polycrystals are consistent with many existing experimental observations and can be used to guide the experimental synthesis of various 2D polycrystals.

关 键 词：SYMMETRIC POLYCRYSTALS EPITAXIAL 

分 类 号：O73[理学—晶体学]