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<p>Industrial silicon gas blowing has a significant removal effect on impurity P, but the depth of impurity removal is governed by reaction kinetics. In this paper, the structural evolution and dynamic properties of P during industrial silicon gas blowing are investigated by a combination of experimental analysis and <i>ab initio</i> molecular dynamics methods. The results showed that the removal efficiency of impurities was gradually enhanced with increasing temperature. Comprehensive analysis of the properties of the electronic structure at 1723 K and 1823 K shows weak interactions between the P–O bonds and a major structural transition to P<sub>2</sub>(g). In addition, the kinetic properties of P in silicon melts were obtained, and the diffusivity at 1723 K and 1823 K was calculated to be 4.61&#xa0;×&#xa0;10<sup>−9</sup> and 1.547&#xa0;×&#xa0;10<sup>−8</sup>m<sup>2</sup>/s, respectively. This study elucidated the effectiveness of P removal in industrial silicon gas blowing and revealed the removal mechanism of impurity phosphorus in industrial silicon gas blowing.</p>

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Study on the Removal Mechanism and Kinetics of Impurity P in the Blowing Refining Process of Industrial Silicon

  • 期刊论文

  • 发表日期：

    2025年3月14日

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  • Pengliang He,
  • Zuhan Shan,
  • Naiyong He,
  • Jijun Wu,
  • Kuixian Wei,
  • Zhengjie Chen,
  • Wenhui Ma

摘要

Industrial silicon gas blowing has a significant removal effect on impurity P, but the depth of impurity removal is governed by reaction kinetics. In this paper, the structural evolution and dynamic properties of P during industrial silicon gas blowing are investigated by a combination of experimental analysis and ab initio molecular dynamics methods. The results showed that the removal efficiency of impurities was gradually enhanced with increasing temperature. Comprehensive analysis of the properties of the electronic structure at 1723 K and 1823 K shows weak interactions between the P–O bonds and a major structural transition to P2(g). In addition, the kinetic properties of P in silicon melts were obtained, and the diffusivity at 1723 K and 1823 K was calculated to be 4.61 × 10−9 and 1.547 × 10−8m2/s, respectively. This study elucidated the effectiveness of P removal in industrial silicon gas blowing and revealed the removal mechanism of impurity phosphorus in industrial silicon gas blowing.