摘要
The initial surface reaction mechanisms of atomic layer deposition TiO2 on H/Si(100)-2×1 surface using Ti(OCH3)4 and H2O as precursors are investigated by density functional theory. The ALD process is divided into two half-reactions, i.e., Ti(OCH3)4 and H2O half-reactions. The adsorption energy of Ti(OCH3)4 on H/Si(100)-2×1 surface is only -2.4 kJ/mol. The overall reaction of Ti(OCH3)4 is exothermic, which indicates that Ti(OCH3)4 half-reactions are favorable on thermodynamic. Howerver, H2O half-reactions are endothermic and thermodynamically unfavorable.
源语言 | 英语 |
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主期刊名 | Advanced Engineering Materials III |
页 | 1052-1056 |
页数 | 5 |
DOI | |
出版状态 | 已出版 - 2013 |
活动 | 3rd International Conference on Advanced Engineering Materials and Technology, AEMT 2013 - Zhangjiajie, 中国 期限: 11 5月 2013 → 12 5月 2013 |
出版系列
姓名 | Advanced Materials Research |
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卷 | 750-752 |
ISSN(印刷版) | 1022-6680 |
会议
会议 | 3rd International Conference on Advanced Engineering Materials and Technology, AEMT 2013 |
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国家/地区 | 中国 |
市 | Zhangjiajie |
时期 | 11/05/13 → 12/05/13 |
指纹
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Zhou, G. F., Ren, J., & Zhang, S. W. (2013). Initial surface reactions mechanisms of atomic layer deposition TiO2 on H/Si(100)-2×1 surface. 在 Advanced Engineering Materials III (页码 1052-1056). (Advanced Materials Research; 卷 750-752). https://doi.org/10.4028/www.scientific.net/AMR.750-752.1052