Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study
The two-dimensional semiconductor material MoS<sub>2</sub>, grown via chemical vapor deposition, has shown significant potential to surpass silicon in advanced electronic technologies. However, the mass transfer and chemical reaction processes critical to the nucleation and growth of MoS...
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2025-02-01
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| author | Zhen Yang Jinwei Lin Qing Zhang Yutian Liu Shujun Han Yanbin Zhou Shuo Chen Shenlong Zhong Xianli Su Qingjie Zhang Xinfeng Tang |
| author_facet | Zhen Yang Jinwei Lin Qing Zhang Yutian Liu Shujun Han Yanbin Zhou Shuo Chen Shenlong Zhong Xianli Su Qingjie Zhang Xinfeng Tang |
| author_sort | Zhen Yang |
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| description | The two-dimensional semiconductor material MoS<sub>2</sub>, grown via chemical vapor deposition, has shown significant potential to surpass silicon in advanced electronic technologies. However, the mass transfer and chemical reaction processes critical to the nucleation and growth of MoS<sub>2</sub> grains remain poorly understood. In this study, we conducted an in-depth investigation into the mass transfer and chemical reaction processes during the chemical vapor deposition of MoS<sub>2</sub>, employing a novel multi-physics coupling model that integrates flow fields, temperature fields, mass transfer, and chemical reactions. Our findings reveal that the intermediate product Mo<sub>3</sub>O<sub>9</sub>S<sub>4</sub> not only fails to participate directly in MoS<sub>2</sub> film growth but also hinders the diffusion of MoS<sub>6</sub>, limiting the growth process. We demonstrate that increasing the growth temperature accelerates the diffusion rate of MoS<sub>6</sub>, mitigates the adverse effects of Mo<sub>3</sub>O<sub>9</sub>S<sub>4</sub>, and promotes the layered growth of MoS<sub>2</sub> films. Additionally, lowering the growth pressure enhances the convective diffusion of reactants, accelerating grain growth. This research significantly advances our understanding of the mass transport and reaction processes in MoS<sub>2</sub> film growth and provides critical insights for optimizing chemical vapor deposition systems. |
| format | Article |
| id | doaj-art-bfdba9bc2c3d408bbf1fe351389f1269 |
| institution | DOAJ |
| issn | 2076-3417 |
| language | English |
| publishDate | 2025-02-01 |
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| spelling | doaj-art-bfdba9bc2c3d408bbf1fe351389f12692025-08-20T02:53:22ZengMDPI AGApplied Sciences2076-34172025-02-01155262710.3390/app15052627Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling StudyZhen Yang0Jinwei Lin1Qing Zhang2Yutian Liu3Shujun Han4Yanbin Zhou5Shuo Chen6Shenlong Zhong7Xianli Su8Qingjie Zhang9Xinfeng Tang10State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, ChinaThe two-dimensional semiconductor material MoS<sub>2</sub>, grown via chemical vapor deposition, has shown significant potential to surpass silicon in advanced electronic technologies. However, the mass transfer and chemical reaction processes critical to the nucleation and growth of MoS<sub>2</sub> grains remain poorly understood. In this study, we conducted an in-depth investigation into the mass transfer and chemical reaction processes during the chemical vapor deposition of MoS<sub>2</sub>, employing a novel multi-physics coupling model that integrates flow fields, temperature fields, mass transfer, and chemical reactions. Our findings reveal that the intermediate product Mo<sub>3</sub>O<sub>9</sub>S<sub>4</sub> not only fails to participate directly in MoS<sub>2</sub> film growth but also hinders the diffusion of MoS<sub>6</sub>, limiting the growth process. We demonstrate that increasing the growth temperature accelerates the diffusion rate of MoS<sub>6</sub>, mitigates the adverse effects of Mo<sub>3</sub>O<sub>9</sub>S<sub>4</sub>, and promotes the layered growth of MoS<sub>2</sub> films. Additionally, lowering the growth pressure enhances the convective diffusion of reactants, accelerating grain growth. This research significantly advances our understanding of the mass transport and reaction processes in MoS<sub>2</sub> film growth and provides critical insights for optimizing chemical vapor deposition systems.https://www.mdpi.com/2076-3417/15/5/2627MoS<sub>2</sub>CVDfinite-element modelingmass transfer |
| spellingShingle | Zhen Yang Jinwei Lin Qing Zhang Yutian Liu Shujun Han Yanbin Zhou Shuo Chen Shenlong Zhong Xianli Su Qingjie Zhang Xinfeng Tang Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study Applied Sciences MoS<sub>2</sub> CVD finite-element modeling mass transfer |
| title | Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study |
| title_full | Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study |
| title_fullStr | Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study |
| title_full_unstemmed | Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study |
| title_short | Unraveling Mass Transfer and Reaction Processes in CVD-Grown MoS<sub>2</sub> Films: A Multiphysical Field Coupling Study |
| title_sort | unraveling mass transfer and reaction processes in cvd grown mos sub 2 sub films a multiphysical field coupling study |
| topic | MoS<sub>2</sub> CVD finite-element modeling mass transfer |
| url | https://www.mdpi.com/2076-3417/15/5/2627 |
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