Modeling analysis of the growth of a cubic crystal in a finite space
Modeling analysis of the growth of a cubic crystal in a finite space
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有限空间中立方晶体生长的建模分析
DOI：
10.1039/d2cp00260d
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发表时间：
2022
影响因子：
3.3
通讯作者：
Yang, Fuqian
中科院分区：
文献类型：
--
作者：
Yang, Fuqian
半导体纳米晶在光电子学中的应用基于其独特的量子限域特性。通过控制纳米晶体的尺寸来定制光电纳米器件和系统的性能引起了人们的极大兴趣。在这项工作中，我们开发了液体溶液中晶体/颗粒生长的通用数学公式，该公式考虑了扩散限制生长和反应限制生长的组合效应，并制定了在三种不同情况下生长的立方晶体尺寸的生长方程：等温和等容条件、溶剂蒸发和/或萃取的等温生长以及温度连续变化的等容生长。对于等温等容条件下立方晶体的生长，存在三个生长阶段——线性生长、非线性生长和稳定阶段，线性生长阶段的生长速率和立方晶体的最终尺寸取决于过饱和程度。对于晶体尺寸呈高斯分布的多晶的生长，液体溶液中单体浓度的变化取决于平均尺寸的变化率和晶体尺寸的标准偏差。
The applications of semiconductor nanocrystals in optoelectronics are based on the unique characteristic of quantum confinement. There is great interest to tailor the performance of optoelectronic nanodevices and systems through the control of the sizes of nanocrystals. In this work, we develop a general mathematical formulation for the growth of a crystal/particle in a liquid solution, which takes account of the combinational effect of diffusion-limited growth and reaction-limited growth, and formulate the growth equations for the size of a cubic crystal grown under three different scenarios – isothermal and isochoric conditions, isothermal growth with the evaporation and/or extraction of the solvent and isochoric growth with continuous change in temperature. For the growth of a cubic crystal under isothermal and isochoric conditions, there are three growth stages – linear growth, nonlinear growth and plateau, and the growth rate in the stage of linear growth and the final size of the cubic crystal are dependent on the degree of supersaturation. For the growth of multi-crystals with a Gaussian distribution of crystal sizes, the change of the monomer concentration in a liquid solution is dependent on the change rates of average size and the standard deviation of the crystal sizes.