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Research Papers

Atomic Layer Deposition Process Modeling and Experimental Investigation for Sustainable Manufacturing of Nano Thin Films

[+] Author and Article Information
Dongqing Pan, Dongsheng Guan

Department of Mechanical Engineering,
University of Wisconsin-Milwaukee,
Milwaukee, WI 53201

Tien-Chien Jen

Department of Mechanical Engineering Science,
University of Johannesburg,
Auckland Park 2006, South Africa

Chris Yuan

Department of Mechanical Engineering,
University of Wisconsin-Milwaukee,
Milwaukee, WI 53201
e-mail: cyuan@uwm.edu

1Corresponding author.

Manuscript received January 9, 2016; final manuscript received July 27, 2016; published online September 13, 2016. Assoc. Editor: Moneer Helu.

J. Manuf. Sci. Eng 138(10), 101010 (Sep 13, 2016) (9 pages) Paper No: MANU-16-1019; doi: 10.1115/1.4034475 History: Received January 09, 2016; Revised July 27, 2016

This paper studies the adverse environmental impacts of atomic layer deposition (ALD) nanotechnology on manufacturing of Al2O3 nanoscale thin films. Numerical simulations with detailed ALD surface reaction mechanism developed based on density functional theory (DFT) and atomic-level calculations are performed to investigate the effects of four process parameters including process temperature, pulse time, purge time, and carrier gas flow rate on ALD film deposition rate, process emissions, and wastes. Full-cycle ALD simulations reveal that the depositions of nano thin films in ALD are in essence the chemisorption of the gaseous species and the conversion of surface species. Methane emissions are positively proportional to the film deposition process. The studies show that process temperature fundamentally affects the ALD chemical process by changing the energy states of the surface species. Pulse time is directly related to the precursor dosage. Purge time influences the ALD process by changing the gas–surface interaction time, and a higher carrier gas flow rate can alter the ALD flow field by accelerating the convective heat and mass transfer in ALD process.

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References

Figures

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Fig. 1

Experimental ALD system with residual gas analyzer (RGA) to characterize the methane emissions

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Fig. 2

Contour plots of gaseous species distributions and the bulk species deposition rates: (a) 0.02 s at the end of TMA pulse and (b) 10.04 s at the end of water pulse

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Fig. 3

Gaseous species distributions during the full Al2O3 ALD cycle

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Fig. 4

Surface coverage for the main surface species during the full ALD cycle

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Fig. 5

Contour plots of surface coverage and precursor distributions in the entire ALD system: (a) 0.02 s at the end of TMA pulse and (b) 10.04 s at the end of water pulse

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Fig. 6

Correlation of the bulk species deposition rate and precursors concentration during the ALD cycle

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Fig. 7

Effects of chamber temperatures on the process wastes and emissions: (a) precursor dosage, precursor wastes, and methane emissions and (b) film growth rate and precursor waste rate

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Fig. 8

Effects of pulse time on the process wastes and emissions: (a) precursor dosage, precursor wastes, and methane emissions and (b) film growth rate and precursor waste rate

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Fig. 9

Effects of purge time on the process wastes and emissions: (a) precursor dosage, precursor wastes, and methane emissions and (b) film growth rate and precursor waste rate

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Fig. 10

Effects of carrier gas flow rate on the process wastes and emissions: (a) precursor dosage, precursor wastes, and methane emissions and (b) film growth rate and precursor waste rate

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