Cargando…
Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials
Molybdenum disulfide (MoS(2)) is a layered transition metal-sulfur compound semiconductor that shows promising prospects for applications in optoelectronics and integrated circuits because of its low preparation cost, good stability and excellent physicochemical, biological and mechanical properties...
Autores principales: | , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10459608/ https://www.ncbi.nlm.nih.gov/pubmed/37630868 http://dx.doi.org/10.3390/nano13162283 |
_version_ | 1785097452273008640 |
---|---|
author | Wang, Jingting Lu, Mingying Chen, Yongxing Hao, Guolin Liu, Bin Tang, Pinghua Yu, Lian Wen, Lei Ji, Haining |
author_facet | Wang, Jingting Lu, Mingying Chen, Yongxing Hao, Guolin Liu, Bin Tang, Pinghua Yu, Lian Wen, Lei Ji, Haining |
author_sort | Wang, Jingting |
collection | PubMed |
description | Molybdenum disulfide (MoS(2)) is a layered transition metal-sulfur compound semiconductor that shows promising prospects for applications in optoelectronics and integrated circuits because of its low preparation cost, good stability and excellent physicochemical, biological and mechanical properties. MoS(2) with high quality, large size and outstanding performance can be prepared via chemical vapor deposition (CVD). However, its preparation process is complex, and the area of MoS(2) obtained is difficult to control. Machine learning (ML), as a powerful tool, has been widely applied in materials science. Based on this, in this paper, a ML Gaussian regression model was constructed to explore the growth mechanism of MoS(2) material prepared with the CVD method. The parameters of the regression model were evaluated by combining the four indicators of goodness of fit (r2), mean squared error (MSE), Pearson correlation coefficient (p) and p-value (p_val) of Pearson’s correlation coefficient. After comprehensive comparison, it was found that the performance of the model was optimal when the number of iterations was 15. Additionally, feature importance analysis was conducted on the growth parameters using the established model. The results showed that the carrier gas flow rate (Fr), molybdenum sulfur ratio (R) and reaction temperature (T) had a crucial impact on the CVD growth of MoS(2) materials. The optimal model was used to predict the size of molybdenum disulfide synthesis under 185,900 experimental conditions in the simulation dataset so as to select the optimal range for the synthesis of large-size molybdenum disulfide. Furthermore, the model prediction results were verified through literature and experimental results. It was found that the relative error between the prediction results and the literature and experimental results was small. These findings provide an effective solution to the preparation of MoS(2) materials with a reduction in the time and cost of trial and error. |
format | Online Article Text |
id | pubmed-10459608 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-104596082023-08-27 Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials Wang, Jingting Lu, Mingying Chen, Yongxing Hao, Guolin Liu, Bin Tang, Pinghua Yu, Lian Wen, Lei Ji, Haining Nanomaterials (Basel) Article Molybdenum disulfide (MoS(2)) is a layered transition metal-sulfur compound semiconductor that shows promising prospects for applications in optoelectronics and integrated circuits because of its low preparation cost, good stability and excellent physicochemical, biological and mechanical properties. MoS(2) with high quality, large size and outstanding performance can be prepared via chemical vapor deposition (CVD). However, its preparation process is complex, and the area of MoS(2) obtained is difficult to control. Machine learning (ML), as a powerful tool, has been widely applied in materials science. Based on this, in this paper, a ML Gaussian regression model was constructed to explore the growth mechanism of MoS(2) material prepared with the CVD method. The parameters of the regression model were evaluated by combining the four indicators of goodness of fit (r2), mean squared error (MSE), Pearson correlation coefficient (p) and p-value (p_val) of Pearson’s correlation coefficient. After comprehensive comparison, it was found that the performance of the model was optimal when the number of iterations was 15. Additionally, feature importance analysis was conducted on the growth parameters using the established model. The results showed that the carrier gas flow rate (Fr), molybdenum sulfur ratio (R) and reaction temperature (T) had a crucial impact on the CVD growth of MoS(2) materials. The optimal model was used to predict the size of molybdenum disulfide synthesis under 185,900 experimental conditions in the simulation dataset so as to select the optimal range for the synthesis of large-size molybdenum disulfide. Furthermore, the model prediction results were verified through literature and experimental results. It was found that the relative error between the prediction results and the literature and experimental results was small. These findings provide an effective solution to the preparation of MoS(2) materials with a reduction in the time and cost of trial and error. MDPI 2023-08-09 /pmc/articles/PMC10459608/ /pubmed/37630868 http://dx.doi.org/10.3390/nano13162283 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Wang, Jingting Lu, Mingying Chen, Yongxing Hao, Guolin Liu, Bin Tang, Pinghua Yu, Lian Wen, Lei Ji, Haining Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title | Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title_full | Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title_fullStr | Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title_full_unstemmed | Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title_short | Machine Learning-Assisted Large-Area Preparation of MoS(2) Materials |
title_sort | machine learning-assisted large-area preparation of mos(2) materials |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10459608/ https://www.ncbi.nlm.nih.gov/pubmed/37630868 http://dx.doi.org/10.3390/nano13162283 |
work_keys_str_mv | AT wangjingting machinelearningassistedlargeareapreparationofmos2materials AT lumingying machinelearningassistedlargeareapreparationofmos2materials AT chenyongxing machinelearningassistedlargeareapreparationofmos2materials AT haoguolin machinelearningassistedlargeareapreparationofmos2materials AT liubin machinelearningassistedlargeareapreparationofmos2materials AT tangpinghua machinelearningassistedlargeareapreparationofmos2materials AT yulian machinelearningassistedlargeareapreparationofmos2materials AT wenlei machinelearningassistedlargeareapreparationofmos2materials AT jihaining machinelearningassistedlargeareapreparationofmos2materials |