کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418511 | 1506950 | 2008 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Quantum estimation of impurity effect for KDP crystal growth
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Many researchers have studied the impurity effect, which usually prevents step propagation of crystal surface. However, this effect has never been analyzed quantum-theoretically. Four aspects of impurity effect by metal ion for KDP crystal were investigated in this study by using Gaussian software and their tendencies were quantitatively considered through calculation results of quantum chemistry such as atomic charge and electrostatic potential of impurity. In particular, electrostatic distribution of impurity molecule is an important factor for impurity effect because the attractive force between (1Â 0Â 0) face and impurity can be predicted from these distributions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 851, Issues 1â3, 28 February 2008, Pages 225-231
Journal: Journal of Molecular Structure: THEOCHEM - Volume 851, Issues 1â3, 28 February 2008, Pages 225-231
نویسندگان
Yusuke Asakuma, Lyndon Jee, Motosuke Nishimura, H. Ming Ang, Moses Tade, Kouji Maeda, Keisuke Fukui,