The complicated trilateral relationships among molecular structures, properties and photovoltaic performances of electron donor and acceptor materials hinder the rapid improvement of power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, we construct the database of 310 donor and non‐fullerene acceptor pairs and select 39 molecular structure descriptors. Four kinds of machine learning (ML) algorithms random forest (RF), extra trees regression, gradient boosting regression trees and adaptive boosting are applied to predict photovoltaic parameters. The coefficient of determination, Pearson correlation coefficient, mean absolute error and root mean square error are adopted to evaluate ML performance. The results show that the RF model exhibits the best prediction accuracy. The Gini important analysis suggest the fused ring and aromatic heterocycles are critical fragments in determining PCE. The molecular unit sets are constructed by cutting each donor and acceptor molecules in database. The 31,752 D‐π‐A‐π type donor molecules and 5,455,164 A‐π‐D‐π‐A type acceptor molecules are designed by recombination of molecular units, and 173,212,367,328 donor‐acceptor pairs are generated by combining the newly designed donor and acceptor molecules. Based on the predicted PCE using the trained RF model, 42 donor‐acceptor pairs exhibit the predicted PCE>16%, in which the highest PCE is 16.24%.This article is protected by copyright. All rights reserved.
{"title":"Molecular Design and High‐Throughput Virtual Screening of Electron Donor and Non‐Fullerene Acceptors for Organic Solar Cells","authors":"Rui Cao, Cai-Rong Zhang, Ming Li, Xiao-Meng Liu, Mei-Ling Zhang, Ji-Jun Gong, Yu-Hong Chen, Zi-Jiang Liu, You-Zhi Wu, Hong-Shan Chen","doi":"10.1002/solr.202400370","DOIUrl":"https://doi.org/10.1002/solr.202400370","url":null,"abstract":"The complicated trilateral relationships among molecular structures, properties and photovoltaic performances of electron donor and acceptor materials hinder the rapid improvement of power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, we construct the database of 310 donor and non‐fullerene acceptor pairs and select 39 molecular structure descriptors. Four kinds of machine learning (ML) algorithms random forest (RF), extra trees regression, gradient boosting regression trees and adaptive boosting are applied to predict photovoltaic parameters. The coefficient of determination, Pearson correlation coefficient, mean absolute error and root mean square error are adopted to evaluate ML performance. The results show that the RF model exhibits the best prediction accuracy. The Gini important analysis suggest the fused ring and aromatic heterocycles are critical fragments in determining PCE. The molecular unit sets are constructed by cutting each donor and acceptor molecules in database. The 31,752 D‐π‐A‐π type donor molecules and 5,455,164 A‐π‐D‐π‐A type acceptor molecules are designed by recombination of molecular units, and 173,212,367,328 donor‐acceptor pairs are generated by combining the newly designed donor and acceptor molecules. Based on the predicted PCE using the trained RF model, 42 donor‐acceptor pairs exhibit the predicted PCE>16%, in which the highest PCE is 16.24%.This article is protected by copyright. All rights reserved.","PeriodicalId":230,"journal":{"name":"Solar RRL","volume":null,"pages":null},"PeriodicalIF":7.9,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141508160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jan Keller, Lars Stolt, Olivier Donzel-Gargand, André F. Violas, Tomas Kubart, Marika Edoff
This study evaluates In2O3:W as a transparent back contact material in wide‐gap (band gap range = 1.44 ‐ 1.52 eV) (Ag,Cu)(In,Ga)Se2 (ACIGS) solar cells for potential application as a top cell in a tandem device. High silver concentrations and close‐stoichiometric absorber compositions result in a complete depletion of free charge carriers, allowing for decent electron collection, despite the low diffusion length. Remarkable efficiencies of 13.6% and 7.5% are reached using 1 µm‐ and 400 nm‐thick absorbers, respectively. At rear illumination (i.e. superstrate backwall), the best cell shows an efficiency of 8.7%. For each of the four analyzed samples, the short‐circuit current at rear illumination reaches at least 60% of the value at front illumination. Losses arise from recombination at the back contact and a too low drift/diffusion length. The parasitic absorption by the transparent electrodes for photon energies close to the band gap of a potential Si bottom cell (1.1 eV) is close to 15%. Strategies to reduce this value and to further increase the efficiency are discussed.This article is protected by copyright. All rights reserved.
{"title":"Bifacial wide‐gap (Ag,Cu)(In,Ga)Se2 solar cell with 13.6% efficiency using In2O3:W as a back contact material","authors":"Jan Keller, Lars Stolt, Olivier Donzel-Gargand, André F. Violas, Tomas Kubart, Marika Edoff","doi":"10.1002/solr.202400430","DOIUrl":"https://doi.org/10.1002/solr.202400430","url":null,"abstract":"This study evaluates In<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>:W as a transparent back contact material in wide‐gap (band gap range = 1.44 ‐ 1.52 eV) (Ag,Cu)(In,Ga)Se<jats:sub>2</jats:sub> (ACIGS) solar cells for potential application as a top cell in a tandem device. High silver concentrations and close‐stoichiometric absorber compositions result in a complete depletion of free charge carriers, allowing for decent electron collection, despite the low diffusion length. Remarkable efficiencies of 13.6% and 7.5% are reached using 1 µm‐ and 400 nm‐thick absorbers, respectively. At rear illumination (i.e. superstrate backwall), the best cell shows an efficiency of 8.7%. For each of the four analyzed samples, the short‐circuit current at rear illumination reaches at least 60% of the value at front illumination. Losses arise from recombination at the back contact and a too low drift/diffusion length. The parasitic absorption by the transparent electrodes for photon energies close to the band gap of a potential Si bottom cell (1.1 eV) is close to 15%. Strategies to reduce this value and to further increase the efficiency are discussed.This article is protected by copyright. All rights reserved.","PeriodicalId":230,"journal":{"name":"Solar RRL","volume":null,"pages":null},"PeriodicalIF":7.9,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hatameh Asgarimoghaddam, Saikiran Sunil Khamgaonkar, Avi Mathur, Vivek Maheshwari, Kevin P. Musselman
In this study, both the internal and external stability of a p‐i‐n methylammonium lead iodide perovskite solar cell (PSC) is improved. Polystyrene (PS) is introduced into the perovskite layer to form a cross‐linked polymer‐perovskite network, which enhances the nucleation and growth of the perovskite grains. Moreover, for the first time, 60‐nm‐thick ZnO/AlOx nanolaminate thin‐film encapsulation (TFE) is deposited directly on the PSC using an atmospheric‐pressure spatial atomic layer deposition (AP‐SALD) system operated in atmospheric‐pressure spatial chemical vapor deposition (AP‐SCVD) mode. The rapid nature of AP‐SCVD enables encapsulation of the PSCs in open air at 130°C without damaging the perovskite. The PS additive improves the performance and internal stability of the PSCs by reducing ion migration. Both the PS additive and the ZnO/AlOx nanolaminate TFEs improve the external stability under standard test conditions (dark, 65°C, 85% relative humidity) by preventing water ingress. The number and thickness of the ZnO/AlOx nanolaminate layers is optimized, resulting in a water‐vapor transmission rate as low as 5.1×10‐5 g/m2/day at 65°C and 85% relative humidity. A fourteen‐fold increase in PSC lifetime is demonstrated; notably, this is achieved using polystyrene, a commodity‐scale polymer, and AP‐SCVD, a scalable, open‐air encapsulation method.This article is protected by copyright. All rights reserved.
{"title":"Enhancing Internal and External Stability of Perovskite Solar Cells through Polystyrene‐Modification of the Perovskite and Rapid Open‐Air Deposition of ZnO/AlOx Nanolaminate Encapsulation","authors":"Hatameh Asgarimoghaddam, Saikiran Sunil Khamgaonkar, Avi Mathur, Vivek Maheshwari, Kevin P. Musselman","doi":"10.1002/solr.202400111","DOIUrl":"https://doi.org/10.1002/solr.202400111","url":null,"abstract":"In this study, both the internal and external stability of a <jats:italic>p‐i‐n</jats:italic> methylammonium lead iodide perovskite solar cell (PSC) is improved. Polystyrene (PS) is introduced into the perovskite layer to form a cross‐linked polymer‐perovskite network, which enhances the nucleation and growth of the perovskite grains. Moreover, for the first time, 60‐nm‐thick ZnO/AlO<jats:sub>x</jats:sub> nanolaminate thin‐film encapsulation (TFE) is deposited directly on the PSC using an atmospheric‐pressure spatial atomic layer deposition (AP‐SALD) system operated in atmospheric‐pressure spatial chemical vapor deposition (AP‐SCVD) mode. The rapid nature of AP‐SCVD enables encapsulation of the PSCs in open air at 130<jats:sup>°</jats:sup>C without damaging the perovskite. The PS additive improves the performance and internal stability of the PSCs by reducing ion migration. Both the PS additive and the ZnO/AlO<jats:sub>x</jats:sub> nanolaminate TFEs improve the external stability under standard test conditions (dark, 65<jats:sup>°</jats:sup>C, 85% relative humidity) by preventing water ingress. The number and thickness of the ZnO/AlO<jats:sub>x</jats:sub> nanolaminate layers is optimized, resulting in a water‐vapor transmission rate as low as 5.1×10<jats:sup>‐5</jats:sup> g/m<jats:sup>2</jats:sup>/day at 65<jats:sup>°</jats:sup>C and 85% relative humidity. A fourteen‐fold increase in PSC lifetime is demonstrated; notably, this is achieved using polystyrene, a commodity‐scale polymer, and AP‐SCVD, a scalable, open‐air encapsulation method.This article is protected by copyright. All rights reserved.","PeriodicalId":230,"journal":{"name":"Solar RRL","volume":null,"pages":null},"PeriodicalIF":7.9,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518364","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}