A Study Of Growth Mechanism Of Kdp And Adp Crystals By Means Of Quantum Chemistry

Yusuke Asakuma; Qin Li; H. Ming Ang; Moses Tade; Kouji Maeda; Keisuke Fukui

首页> 外文期刊>Applied Surface Science >A Study Of Growth Mechanism Of Kdp And Adp Crystals By Means Of Quantum Chemistry

【24h】

A Study Of Growth Mechanism Of Kdp And Adp Crystals By Means Of Quantum Chemistry

机译：量子化学研究Kdp和Adp晶体的生长机理

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

Impurity adsorption, crystal growth by adsorption of growth unit and step-pinning mechanism of metal ion adsorption were investigated for potassium dihydrogen phosphate (KDP; KH_2PO_4) and ammonium dihydrogen phosphate (ADP; NH_4H_2PO_4) by quantum chemistry. In this study, the ideal crystal morphologies, the growth unit and the crystal surface with and without metal ions were calculated and analyzed by using electrostatic property. It is found that the computational results based on electrostatic potential distribution can account for the observed behaviours on KDP and ADP crystal growth.

机译：通过量子化学研究了磷酸二氢钾（KDP； KH_2PO_4）和磷酸二氢铵（ADP； NH_4H_2PO_4）的杂质吸附，生长单元吸附晶体的生长以及金属离子吸附的钉扎机理。在这项研究中，通过使用静电特性，计算并分析了理想的晶体形态，生长单位以及有无金属离子的晶体表面。发现基于静电势分布的计算结果可以解释观察到的关于KDP和ADP晶体生长的行为。

著录项

来源
《Applied Surface Science》 |2008年第15期|p.4524-4530|共7页
作者
Yusuke Asakuma; Qin Li; H. Ming Ang; Moses Tade; Kouji Maeda; Keisuke Fukui;
展开▼
作者单位

Department of Mechanical and System Engineering, University of Hyogo, 2201 Shosha, Himeji 671-2280, Japan;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类应用物理学;
关键词
adsorption; impurity effect; step-pinning; quantum chemistry;

机译：吸附;杂质效应;分步固定;量子化学;

相似文献

外文文献
中文文献
专利

1. On the mechanism of impurity influence on growth kinetics and surface morphology of KDP crystals - II: experimental study of influence of bivalent and trivalent impurity ions on growth kinetics and surface morphology of KDP crystals [J] . Eremina TA, Kuznetsova VA, Eremin NN, Journal of Crystal Growth . 2005,第3a4期

机译：杂质对KDP晶体生长动力学和表面形态的影响机理研究-II：二价和三价杂质离子对KDP晶体生长动力学和表面形态影响的实验研究
2. On the mechanism of impurity influence on growth kinetics and surface morphology of KDP crystals - I: defect centres formed by bivalent and trivalent impurity ions incorporated in KDP structure-theoretical study [J] . Rak M, Eremin NN, Eremina TA, Journal of Crystal Growth . 2005,第3a4期

机译：杂质影响KDP晶体生长动力学和表面形态的机理-I：KDP结构中掺入的二价和三价杂质离子形成的缺陷中心
3. Growth and thermal studies on pure ADP, KDP and mixed K _(1-x)(NH_4)_xH_2PO_4 crystals [J] . Shenoy P., Bangera K.V., Shivakumar G.K. Crystal Research and Technology: Journal of Experimental and Industrial Crystallography . 2010,第8期

机译：纯ADP，KDP和混合K _（1-x）（NH_4）_xH_2PO_4晶体的生长和热学研究
4. Chemical Bond Calculations of Crystal Growth of KDP and ADP [C] . Xu Dongli, Xue Dongfeng Journal of Rare Earths vol.24 Spec. Issue March 2006 . 2006

机译：KDP和ADP晶体生长的化学键计算
5. Solid state chemistry: Part I. Mechanistic studies on the decomposition of didecanoyl peroxide. Part II. Possible insights into mechanisms of crystal growth through the crystalline packing of 2-(hydroxymethyl)-2-methyl-1,3-propanediol [D] . Carter, Randall Lee 1993

机译：固态化学：第一部分。过氧化双癸酰分解的机理研究。第二部分通过2-（羟甲基）-2-甲基-1,3-丙二醇的晶体堆积对晶体生长机理的可能见解
6. Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal [O] . C. Usha, R. Santhakumari, Lynnette Joseph, 2019

机译：甘氨酰-L-缬氨酸晶体的生长及其组合实验与量子化学研究
7. Clarification of Impurity Colouring and Adsorption Mechanism for KDP Crystal Growth by Computational Chemistry [O] . Yusuke ASAKUMA, Kouji MAEDA, Keisuke FUKUI 2008

机译：阐明计算化学KDP晶体生长的杂质着色和吸附机理
8. Mechanisms of protein and virus crystal growth: An atomic force microscopy study of canavalin and STMV crystallization [R] . Land, T. A. , De Yoreo, J. J. , Malkin, A. J. , 1996

机译：蛋白质和病毒晶体生长的机制：刀豆蛋白和sTmV结晶的原子力显微镜研究

A Study Of Growth Mechanism Of Kdp And Adp Crystals By Means Of Quantum Chemistry

摘要

著录项

相似文献

相关主题

期刊订阅