Simulation of metal-organic framework self-assembly

被引：27
|
作者：
Yoneya, Makoto [1 ]
Tsuzuki, Seiji [1 ]
Aoyagi, Masaru [1 ]
机构：
[1] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 14期
关键词：
COORDINATION; NETWORKS;
D O I：
10.1039/c5cp00379b
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Spontaneous growth of metal-organic frameworks (MOFs) composed of metal ions and 4,4'-bipyridine ligands was successfully demonstrated by molecular dynamics simulations, starting from a random initial placement of the metals and the ligands. The effect of the metal-ligand binding strength upon the MOF self-assembly was investigated. We found that the metal-ligand binding strength should be within a window around the optimum values for the regular MOF growth.
引用
收藏
页码：8649 / 8652
页数：4
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