二维共价有机框架的核延长动力学
Haoyuan Li1, Austin M Evans2, Ioannina Castano2
1School of Chemistry and Biochemistry, Center for Organic Photonics and Electronics (COPE) , Georgia Institute of Technology , Atlanta , Georgia 30332-0400 , United States.
Journal of the American Chemical Society
|December 24, 2019
概括
研究人员量化了二维共价有机框架 (COF) 的核和生长率. 他们发现,在低度的单体中,生长占主导地位,从而能够更好地控制二维聚合物合成.
科学领域:
- 材料科学
- 聚合物化学
- 计算化学
背景情况:
- 二维 (2D) 聚合形成类似于共价有机框架 (COF) 的平面宏分子.
- 传统上,COF仅限于微弱结晶的粉末,阻碍了它们的应用.
- 最近的进展允许通过控制核和生长来将COF生长为单晶.
研究的目的:
- 量化分析二维COF的核化和生长速度.
- 了解这些过程的单体度依赖性.
- 为控制二维聚合提供机械基础.
主要方法:
- 使用动力蒙特卡洛 (KMC) 模拟来建模COF-5核和生长.
- 在现场进行X射线散射实验以测量核和生长速度.
- 使用单体度的系统变化.
主要成果:
- 核化速率显示出对单体度的二次依赖.
- 增长速度主要取决于单体度.
- 确定了一个值单体度,低于这个值,生长会主导核化.
结论:
- 该研究提供了对二维COF核和生长动力学的定量理解.
- 这些发现合理化了经验观察,即缓慢的单体添加有利于2D COF单晶形成.
- 这种机械的洞察力使得对高质量的材料合成的二维聚合能得到合理的控制.
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