Thermodynamic Simulation of Polycrystalline Silicon Chemical Vapor Deposition in Si–Cl–H System
- Authors: Yangmin Zhou 1,2,3, Hou Y.1, Nie Z.1,2, Xie G.1,3, Ma W.1,2, Dai Y.1,2, Ramachandran P.A.4
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Affiliations:
- State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Science and Technology
- Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology
- Kunming Metallurgical Research Institute
- Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis
- Issue: Vol 53, No 6 (2019)
- Pages: 1048-1056
- Section: Article
- URL: https://journals.rcsi.science/0040-5795/article/view/173210
- DOI: https://doi.org/10.1134/S0040579519060162
- ID: 173210
Cite item
Abstract
Based on thermodynamic data for related pure substances, the relations of (nCl/nH)Eq and (nCl/nH)o have been plotted in the Si–Cl–H system. The results show that the difference of (nSi/nCl)o and (nSi/nCl)Eq is the driving force for polycrystalline silicon chemical vapor deposition (CVD). SiHCl3 is preferred for polycrystalline silicon deposition to SiCl4. SiH2Cl2 would be even better, but it is not stable as a gas and hence it is less frequently used. Then, thermodynamic simulation of polycrystalline silicon CVD in the Si–H–Cl system has been investigated. The pressure has a negative effect on polycrystalline silicon yield. The optimum temperature is 1400 K, at which the kinetic rate of rate-determining step for the main reaction is large enough. The excess hydrogen is necessary for polycrystalline silicon CVD in the Si–Cl–H system. However, the silicon deposition rate increases then decreases with increasing H2 molar fraction. The optimum H2 molar fraction should be determined by considering thermodynamics and transport phenomena simultaneously. Finally, the optimum conditions have been obtained as 1400 K, about 0.1 MPa, and H2 to SiHCl3 ratio of 15, which are close to the limited reported values in the open literature. Under the optimum conditions, the silicon yield ratio is 34.82% against 20% reported in the open literature.
About the authors
Yangmin Zhou
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology; Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology; Kunming Metallurgical Research Institute
Email: hhouyanqing@163.com
China, Kunming; Kunming; Kunming
Yanqing Hou
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology
Author for correspondence.
Email: hhouyanqing@163.com
China, Kunming
Zhifeng Nie
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology; Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology
Email: hhouyanqing@163.com
China, Kunming; Kunming
Gang Xie
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology; Kunming Metallurgical Research Institute
Email: hhouyanqing@163.com
China, Kunming; Kunming
Wenhui Ma
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology; Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology
Email: hhouyanqing@163.com
China, Kunming; Kunming
Yongnian Dai
State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization, Kunming University of Scienceand Technology; Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology
Email: hhouyanqing@163.com
China, Kunming; Kunming
Palghat A. Ramachandran
Department of Energy, Environmental and Chemical Engineering, Washington University in St. Louis
Email: hhouyanqing@163.com
United States, MO
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