Initial surface reactions mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as precursors

Guang Fen Zhou; Jie Ren; Shao Wen Zhang

doi:10.4028/www.scientific.net/AMR.785-786.832

Initial surface reactions mechanisms of atomic layer deposition TiO₂ using Ti(OCH₃)₄ and H₂O as precursors

Guang Fen Zhou, Jie Ren, Shao Wen Zhang

School of Chemistry and Chemical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

4 Citations (Scopus)

Abstract

The initial surface reaction mechanisms of atomic layer deposition TiO₂ using Ti(OCH₃)₄ and H₂O as the 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 of Ti(OCH₃)₄ on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH₃)₄ is endothermic. In addition, H₂O half-reactions are endothermic and thermodynamically unfavorable.

Original language	English
Title of host publication	Current Trends in the Development of Industry
Pages	832-836
Number of pages	5
DOIs	https://doi.org/10.4028/www.scientific.net/AMR.785-786.832
Publication status	Published - 2013
Event	3rd International Conference on Chemical Engineering and Advanced Materials, CEAM 2013 - Guangzhou, China Duration: 6 Jul 2013 → 7 Jul 2013

Publication series

Name	Advanced Materials Research
Volume	785-786
ISSN (Print)	1022-6680

Conference

Conference	3rd International Conference on Chemical Engineering and Advanced Materials, CEAM 2013
Country/Territory	China
City	Guangzhou
Period	6/07/13 → 7/07/13

Keywords

Atomic layer deposition
Density functional theory
Titanium dioxide

Access to Document

10.4028/www.scientific.net/AMR.785-786.832

Cite this

Zhou, G. F., Ren, J., & Zhang, S. W. (2013). Initial surface reactions mechanisms of atomic layer deposition TiO₂ using Ti(OCH₃)₄ and H₂O as precursors. In Current Trends in the Development of Industry (pp. 832-836). (Advanced Materials Research; Vol. 785-786). https://doi.org/10.4028/www.scientific.net/AMR.785-786.832

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title = "Initial surface reactions mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as precursors",

abstract = "The initial surface reaction mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as the 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 of Ti(OCH3)4 on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH3)4 is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.",

keywords = "Atomic layer deposition, Density functional theory, Titanium dioxide",

author = "Zhou, {Guang Fen} and Jie Ren and Zhang, {Shao Wen}",

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Zhou, GF, Ren, J & Zhang, SW 2013, Initial surface reactions mechanisms of atomic layer deposition TiO₂ using Ti(OCH₃)₄ and H₂O as precursors. in Current Trends in the Development of Industry. Advanced Materials Research, vol. 785-786, pp. 832-836, 3rd International Conference on Chemical Engineering and Advanced Materials, CEAM 2013, Guangzhou, China, 6/07/13. https://doi.org/10.4028/www.scientific.net/AMR.785-786.832

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T1 - Initial surface reactions mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as precursors

AU - Zhou, Guang Fen

AU - Ren, Jie

AU - Zhang, Shao Wen

PY - 2013

Y1 - 2013

N2 - The initial surface reaction mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as the 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 of Ti(OCH3)4 on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH3)4 is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.

AB - The initial surface reaction mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as the 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 of Ti(OCH3)4 on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH3)4 is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.

KW - Atomic layer deposition

KW - Density functional theory

KW - Titanium dioxide

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