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

页码：8649 / 8652

页数：4

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