Machine learning‐assisted performance analysis of organic photovoltaics

Abstract Although the power conversion efficiency of organic solar cells (OSCs) has been rapidly improved, there is still a lot of room for designing and developing new materials and their combinations to approach the efficiency limit. In this work, we establish a database of ∼100 bulk heterojunctio...

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Main Authors: Sijing Zhong, Jiayi Huang, Hengyu Meng, Zhuo Feng, Qianyue Wang, Zhenyu Huang, Lijie Zhang, Shiwei Li, Weiyang Gong, Yusen Huang, Lei Ying, Ning Li
Format: Article
Language:English
Published: Wiley-VCH 2024-12-01
Series:Materials Genome Engineering Advances
Subjects:
Online Access:https://doi.org/10.1002/mgea.74
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author Sijing Zhong
Jiayi Huang
Hengyu Meng
Zhuo Feng
Qianyue Wang
Zhenyu Huang
Lijie Zhang
Shiwei Li
Weiyang Gong
Yusen Huang
Lei Ying
Ning Li
author_facet Sijing Zhong
Jiayi Huang
Hengyu Meng
Zhuo Feng
Qianyue Wang
Zhenyu Huang
Lijie Zhang
Shiwei Li
Weiyang Gong
Yusen Huang
Lei Ying
Ning Li
author_sort Sijing Zhong
collection DOAJ
description Abstract Although the power conversion efficiency of organic solar cells (OSCs) has been rapidly improved, there is still a lot of room for designing and developing new materials and their combinations to approach the efficiency limit. In this work, we establish a database of ∼100 bulk heterojunction OSCs composed of representative donors and acceptors reported in the literature, and train machine learning models to identify the efficiency potential of donor‐acceptor combinations. We find that the fully connected neural network achieves a Pearson coefficient of up to 0.88 for predicting the efficiency of OSCs with different combinations of donors and acceptors. We use sure independence screening and sparsifying method with feature analysis to analyze and evaluate the performance of OSCs. To prove the reliability and viability of the predictive model, we introduce the theoretical efficiency limits and confidence tests into the process, which provides a simple but reliable solution to quickly analyze and evaluate the potential of OSC materials and material combinations.
format Article
id doaj-art-bf37fef3f6ea4b5e8351ca3111b55df9
institution Kabale University
issn 2940-9489
2940-9497
language English
publishDate 2024-12-01
publisher Wiley-VCH
record_format Article
series Materials Genome Engineering Advances
spelling doaj-art-bf37fef3f6ea4b5e8351ca3111b55df92025-01-13T15:15:31ZengWiley-VCHMaterials Genome Engineering Advances2940-94892940-94972024-12-0124n/an/a10.1002/mgea.74Machine learning‐assisted performance analysis of organic photovoltaicsSijing Zhong0Jiayi Huang1Hengyu Meng2Zhuo Feng3Qianyue Wang4Zhenyu Huang5Lijie Zhang6Shiwei Li7Weiyang Gong8Yusen Huang9Lei Ying10Ning Li11Institute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaInstitute of Polymer Optoelectronic Materials and Devices Guangdong Basic Research Center of Excellence for Energy and Information Polymer Materials State Key Laboratory of Luminescent Materials and Devices South China University of Technology Guangzhou ChinaAbstract Although the power conversion efficiency of organic solar cells (OSCs) has been rapidly improved, there is still a lot of room for designing and developing new materials and their combinations to approach the efficiency limit. In this work, we establish a database of ∼100 bulk heterojunction OSCs composed of representative donors and acceptors reported in the literature, and train machine learning models to identify the efficiency potential of donor‐acceptor combinations. We find that the fully connected neural network achieves a Pearson coefficient of up to 0.88 for predicting the efficiency of OSCs with different combinations of donors and acceptors. We use sure independence screening and sparsifying method with feature analysis to analyze and evaluate the performance of OSCs. To prove the reliability and viability of the predictive model, we introduce the theoretical efficiency limits and confidence tests into the process, which provides a simple but reliable solution to quickly analyze and evaluate the potential of OSC materials and material combinations.https://doi.org/10.1002/mgea.74machine learningmaterial combinationsorganic photovoltaicsperformance analysisreliability
spellingShingle Sijing Zhong
Jiayi Huang
Hengyu Meng
Zhuo Feng
Qianyue Wang
Zhenyu Huang
Lijie Zhang
Shiwei Li
Weiyang Gong
Yusen Huang
Lei Ying
Ning Li
Machine learning‐assisted performance analysis of organic photovoltaics
Materials Genome Engineering Advances
machine learning
material combinations
organic photovoltaics
performance analysis
reliability
title Machine learning‐assisted performance analysis of organic photovoltaics
title_full Machine learning‐assisted performance analysis of organic photovoltaics
title_fullStr Machine learning‐assisted performance analysis of organic photovoltaics
title_full_unstemmed Machine learning‐assisted performance analysis of organic photovoltaics
title_short Machine learning‐assisted performance analysis of organic photovoltaics
title_sort machine learning assisted performance analysis of organic photovoltaics
topic machine learning
material combinations
organic photovoltaics
performance analysis
reliability
url https://doi.org/10.1002/mgea.74
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