物理化学学报2017，Vol.33Issue(3)：539-547,9.DOI:10.3866/PKU.WHXB201611252
基于卤键的谢尔宾斯基三角分形自组装的模拟研究
Simulation Studies of the Self-Assembly of Halogen-Bonded Sierpi(n)ski Triangle Fractals
摘要
Abstract
In this study,a coarse-grained lattice Monte Carlo model was used to investigate the formation of Sierpifiski triangle (ST) fractals through self-assembly on a triangular lattice surface.In the simulations,both symmetric and asymmetric molecular building blocks can spontaneously form ST fractal patterns,although the mixture of enantiomers of asymmetric molecule is more difficult to self-organize into ST of a high order owing to the presence of a large variety of competing three-membered nodes.The formation of ST fractals is favored at low surface coverage and is sensitive to temperature.Furthermore,to test whether the assembly pathway and outcome could be controlled by molecular design,we guided the self-assembly process forming ST fractal into the otherwise disfavored self-assembled structures using templates different from the assembling molecules.The templates are designed to act as "catassemblers" that initiate the self-assembling but are excluded from the final assembled structure.关键词
自组装/蒙特卡罗模拟/分形/谢尔宾斯基三角形/催组装Key words
Self-assembly/Monte carlo simulation/Fractal/Sierpi(n)ski triangle/Catassembly分类
化学化工引用本文复制引用
张珍,谢文俊,杨奕,孙耿,高毅勤..基于卤键的谢尔宾斯基三角分形自组装的模拟研究[J].物理化学学报,2017,33(3):539-547,9.基金项目
The project was supported by the National Natural Science Foundation of China (91427304,21573006,U1430237,21233002,21125311) and National Key Basic Research Program of China (973) (2012CB917304).国家自然科学基金(91427304,21573006,U1430237,21233002,21125311)和国家重点基础研究发展规划项目(973) (2012CB917304)资助 （91427304,21573006,U1430237,21233002,21125311）
