期刊文献+

溶液中结晶生长的动力学模拟:化学键合方法 被引量:6

A Chemical Bonding Method for Kinetic Simulation of Single Crystals Grown from Aqueous Solution
下载PDF
导出
摘要 基于化学键合的角度对晶体生长过程的理解,提出了一个由动力学因素控制的形貌预测模型。该模型同时考虑了晶体内部结构和环境生长因素对晶体最终形貌的影响。对磷酸二氢钾(KDP)和磷酸二氢铵(ADP)晶体在不同动力学条件下的生长形貌进行了理论模拟,所预测的结果与实验观测结果基本一致。同时比较了相同过饱和度条件下KDP和ADP晶体的生长形貌,认为晶体局部成键性质不同是导致两者形貌差异的根本原因。本文通过对动力学因素控制的生长形貌的分析,为实际晶体生长过程中的形貌调控研究及应用提供理论依据。 A chemical bonding method for kinetically predicting the growth shape of single crystals was proposed. An attempt was made to find the relation between crystal morphology and both internal and external factors. To validate this model, we applied it to potassium dihydrogen phosphate (KDP) and ammonium dihydrogen phosphate (ADP) crystals grown from aqueous solution, shape evolutions can be got by changing the habit-controlling factors. The simulated results matched well with our experimental results. Furthermore, we elucidated the reason of the different morphology at the same supersaturation for KDP and ADP crystals. Based on the analysis of growth morphologies controlled by the kinetic factors, we try to open up a way for the study of morphology tuning and applications in real crystal growth processes.
出处 《人工晶体学报》 EI CAS CSCD 北大核心 2009年第2期396-401,共6页 Journal of Synthetic Crystals
基金 教育部新世纪优秀人才支持计划(NCET-05-0278) 国家自然科学基金资助项目(No.50872016)
关键词 生长模型 结晶形貌 化学键 动力学 growth model crystal morphology chemical bond kinetics
  • 相关文献

参考文献16

  • 1Piana S, Reyhani M, Gale J D. Simulating Micrometre-scale Crystal Growth from Solution[J]. Nature, 2005, 438: 70-73.
  • 2Donnay J D H, Harker D. A New Law of Crystal Morphology Extending the Law of Bravais[J]. American Mineralogist, 1937,22: 446-467.
  • 3Hartman P, Bermema P. The Attachment Energy as a Habit Controlling Factor. I. Theoretical Conciderations[ J]. Journal of Crystal Growth,1980, 49: 145-156.
  • 4Xu D L, Xue D F. Chemical Bond Analysis of the Crystal Growth of KDP and ADP[J]. Journal of Crystal Growth, 2006,286: 108-113.
  • 5Xu D L, Xue D F, Ratajczak H. Morphology and Structure Studies of KDP and ADP Crystallites in the Water and Ethanol Solutions[J]. Journal of Molecular Structure, 2005,740 : 37-.45.
  • 6许东利,薛冬峰.结晶生长的化学键合理论[J].人工晶体学报,2006,35(3):598-603. 被引量:13
  • 7Xu D L, Xue D F. Computational Study of Crystal Growth Habit and Cleavage[J]. Journal of Alloys and Compounds, 2008,449: 353-356
  • 8Xue D F, He X K. Dopant Occupancy and Structural Stability of Doped Lithium Niobate Crystals [ J ]. Physical Review B, 2006,73 (6) : 064113.
  • 9Zhang X, Xue D. Bond Energy Prediction of Curie Temperature of Lithium Niobate Crystals [ J ]. Journal of Physical Chemistry B, 2007,111 : 2587-2590.
  • 10Xu D L, Xue D F. Morphology Control of KDP Crystallites[ J ]. Physica B, 2005,370: 84-89.

二级参考文献14

共引文献17

同被引文献156

  • 1孙丛婷,李克艳,宋术岩,薛冬峰.晶体中的各向异性研究[J].人工晶体学报,2012,41(S1):105-110. 被引量:2
  • 2姜园,张朝阳,仇佩亮,周东方.用于数据挖掘的聚类算法[J].电子与信息学报,2005,27(4):655-662. 被引量:68
  • 3肖旭霖,李慧.苹果汁冷冻浓缩工艺的研究[J].农业工程学报,2006,22(1):192-194. 被引量:22
  • 4许东利,薛冬峰.结晶生长的化学键合理论[J].人工晶体学报,2006,35(3):598-603. 被引量:13
  • 5于涛,马军,崔崇威.高浓度尿素废水冷冻浓缩极限[J].化工学报,2006,57(12):2943-2947. 被引量:11
  • 6ORegan B, Gratzel M. A Low-cost, High-efficiency Solar Cell Based on Dye-sensitized Colloidal TiO2 Films[J]. Nature, 1991,353:737-739.
  • 7Gr"atzel M. Photoelectroehemical Ceils[J]. Nature ,2001,414:338-344.
  • 8Yazuo C, Ashraful I, Ryoichi K, et al. Conversion Efficiency of 10.8% by a Dye-sensitized Solar Cell Using a TiO2 Electrode with High Haze [J]. Appl. Phys. Lett. ,2006,88:223505.
  • 9Zhang D, Yoshida T, Minoura H. Low-temperature Fabrication of Efficient Porous Titania Photoelectrodes by Hydrothermal Crystallization at the Solid/Gas Interface[ J]. Adv. Mater. ,2003,15(10) :814-817.
  • 10Wagemaker M, Kentgens A P M, Mulder F M, et al. Equilibrium Lithium Transport between Nanocrystalline Phases in Intercalated TiO2 Anatase [J]. Nature,2002,418 : 397-399.

引证文献6

二级引证文献29

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部