کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5363422 | 1388301 | 2007 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Density functional study of initial HfCl4 adsorption and decomposition reactions on silicon surfaces with SiON interfacial layer
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Density functional study of initial HfCl4 adsorption and decomposition reactions on silicon surfaces with SiON interfacial layer Density functional study of initial HfCl4 adsorption and decomposition reactions on silicon surfaces with SiON interfacial layer](/preview/png/5363422.png)
چکیده انگلیسی
The initial adsorption and decomposition of HfCl4 on silicon surfaces with different types of SiON interfacial layers are investigated using density functional theory. We find that the reactions of HfCl4 on both the hydroxylated and nitrided silicon surfaces proceed through similar reaction pathways. By comparison of the reaction energies of HfCl4 with the hydroxyl and amino surface sites, we find that it is both kinetically and thermodynamically favorable for the reactions of HfCl4 on hydroxyl site of silicon substrates. Comparing with the adjacent bridging oxygen, we also find that the neighboring hydroxyl can facilitate the adsorption of HfCl4 on the amido surface site. Also, it is more kinetically and thermodynamically favorable for the reaction of HfCl4 with bridging NH site than that with NH2 site.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 253, Issue 23, 30 September 2007, Pages 9148-9153
Journal: Applied Surface Science - Volume 253, Issue 23, 30 September 2007, Pages 9148-9153
نویسندگان
Jie Ren, Bao Sun, David Wei Zhang,