| 臭氧在氧化铝薄膜生长过程中氧化机理的研究 |
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| 引用本文： | 李淑梅.臭氧在氧化铝薄膜生长过程中氧化机理的研究[J].河北工业科技,2012,29(4):203-205. |
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| 作者姓名： | 李淑梅 |
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| 作者单位： | 河北能源职业技术学院矿产资源与建筑工程系,河北唐山,063004 |
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| 摘 要： | 使用密度泛函的B3LYP方法研究了臭氧在原子层沉积制备氧化铝过程中的初始氧化机理,计算发现:臭氧的端位O应该首先与Al原子配位成键,然后再与—CH3上邻近的H原子结合,最后释放O2,形成AlOH基团,因为这一路径是能量上更加有利的过程。
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| 关 键 词： | 臭氧 反应路径 氧化铝 密度泛函理论 |
| 收稿时间： | 2011/11/7 0:00:00 |
| 修稿时间： | 2012/3/2 0:00:00 |
Theoretical study on oxidation mechanism in depositing alumina thin films using ozone as oxygen source |
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| LI Shu-mei.Theoretical study on oxidation mechanism in depositing alumina thin films using ozone as oxygen source[J].Hebei Journal of Industrial Science & Technology,2012,29(4):203-205. |
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| Authors: | LI Shu-mei |
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| Institution: | LI Shu-mei(Mineral Resources and Building Engineering Department,Hebei Energy College of Vocation and Technology,Tangshan Hebei 063004,China) |
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| Abstract: | The initial oxidation mechanism of atomic-layer deposited alumina using ozone as oxygen source is studied by using density functional theory B3LYP method.Calculations show the following reaction pathway is energetically more favorable: the end oxygen atom of ozone coordinates the Al atom,then recombines with the neighboring hydrogen atom of CH3 group,finally releases oxygen molecule to form AlOH group. |
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| Keywords: | ozone reaction pathway alumina density functional theory |
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