An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells
Abstract In this theoretical study, potential K2TiI6 perovskite material has been used as the absorber layer of the investigated perovskite solar cells (PSCs). The SCAPS-1D program was used to conduct the numerical analysis where 10 different hole transport layers (HTLs) and 4 electron transport lay...
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Nature Portfolio
2025-05-01
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| Online Access: | https://doi.org/10.1038/s41598-025-98351-y |
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| author | M. Khalid Hossain Kazi Md Sadat M. Shihab Uddin Apon Kumar Datta Prakash Kanjariya M. Sudhakara Reddy Rishiv Kalia Barani Selvaraj Aboud Ahmed Awadh Bahajjaj R. Balachandran Ali Hajjiah Rajesh Haldhar |
| author_facet | M. Khalid Hossain Kazi Md Sadat M. Shihab Uddin Apon Kumar Datta Prakash Kanjariya M. Sudhakara Reddy Rishiv Kalia Barani Selvaraj Aboud Ahmed Awadh Bahajjaj R. Balachandran Ali Hajjiah Rajesh Haldhar |
| author_sort | M. Khalid Hossain |
| collection | DOAJ |
| description | Abstract In this theoretical study, potential K2TiI6 perovskite material has been used as the absorber layer of the investigated perovskite solar cells (PSCs). The SCAPS-1D program was used to conduct the numerical analysis where 10 different hole transport layers (HTLs) and 4 electron transport layers (ETLs) were used to find the best optimum device structure. While various HTLs were studied, D-PBTTT-14 showed the best-optimized performance and therefore it was chosen as the final HTL material for further studies in combination with 4 ETL materials. Different device parameters such as the thickness of the absorber, HTL, and ETL layers; doping concentrations, and defect densities are varied in this work to optimize the investigated device structures. Moreover, the effect of temperature, series and shunt resistance, J-V curve, Q-E curve, recombination and generation rates were explored in this study. After optimizing various device parameters, the device with CdZnS ETL demonstrated superior performance compared to other ETL devices. It achieved a power conversion efficiency (PCE) of 26.21%, fill factor (FF) of 88.06%, short-circuit current density (Jsc) of 20.951 mA/cm², and an open-circuit voltage (VOC) of 1.4205 V. Under fully optimized conditions, LBSO, Nb2O5, and PC60BM ETL devices showed PCE of 22.06%, 23.24%, and 23.12%, respectively. Based on the findings of this study, it can be stated that this work could be valuable for the practical implementation of K2TiI6 absorber-based PSCs. |
| format | Article |
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| institution | OA Journals |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-2d3265c8ef88444787d7ac145651a04c2025-08-20T02:00:08ZengNature PortfolioScientific Reports2045-23222025-05-0115111810.1038/s41598-025-98351-yAn investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cellsM. Khalid Hossain0Kazi Md Sadat1M. Shihab Uddin2Apon Kumar Datta3Prakash Kanjariya4M. Sudhakara Reddy5Rishiv Kalia6Barani Selvaraj7Aboud Ahmed Awadh Bahajjaj8R. Balachandran9Ali Hajjiah10Rajesh Haldhar11Institute of Electronics, Atomic Energy Research Establishment, Bangladesh Atomic Energy CommissionDepartment of Electrical and Electronic Engineering, Mymensingh Engineering CollegeDepartment of Electrical and Electronic Engineering, CCN University of Science and TechnologyDepartment of Electrical and Electronic Engineering, Mymensingh Engineering CollegeMarwadi University Research Center, Department of Physics, Faculty of Science, Marwadi UniversityDepartment of Physics & Electronics, School of Sciences, JAIN (Deemed to be University)Centre for Research Impact & Outcome, Chitkara University Institute of Engineering and Technology, Chitkara UniversityDepartment of Electronics and Communication Engineering, Sathyabama Institute of Science and TechnologyDepartment of Chemistry, College of Science, King Saud UniversityDepartment of ECE, College of Electrical Engineering and Computing, Adama Science and Technology UniversityDepartment of Electrical Engineering, College of Engineering and Petroleum, Kuwait UniversitySchool of Chemical Engineering, Yeungnam UniversityAbstract In this theoretical study, potential K2TiI6 perovskite material has been used as the absorber layer of the investigated perovskite solar cells (PSCs). The SCAPS-1D program was used to conduct the numerical analysis where 10 different hole transport layers (HTLs) and 4 electron transport layers (ETLs) were used to find the best optimum device structure. While various HTLs were studied, D-PBTTT-14 showed the best-optimized performance and therefore it was chosen as the final HTL material for further studies in combination with 4 ETL materials. Different device parameters such as the thickness of the absorber, HTL, and ETL layers; doping concentrations, and defect densities are varied in this work to optimize the investigated device structures. Moreover, the effect of temperature, series and shunt resistance, J-V curve, Q-E curve, recombination and generation rates were explored in this study. After optimizing various device parameters, the device with CdZnS ETL demonstrated superior performance compared to other ETL devices. It achieved a power conversion efficiency (PCE) of 26.21%, fill factor (FF) of 88.06%, short-circuit current density (Jsc) of 20.951 mA/cm², and an open-circuit voltage (VOC) of 1.4205 V. Under fully optimized conditions, LBSO, Nb2O5, and PC60BM ETL devices showed PCE of 22.06%, 23.24%, and 23.12%, respectively. Based on the findings of this study, it can be stated that this work could be valuable for the practical implementation of K2TiI6 absorber-based PSCs.https://doi.org/10.1038/s41598-025-98351-yLead-free perovskitePerovskite solar cellK2TiI6 absorberD-PBTTT-14 HTLCdZnS ETLSCAPS-1D |
| spellingShingle | M. Khalid Hossain Kazi Md Sadat M. Shihab Uddin Apon Kumar Datta Prakash Kanjariya M. Sudhakara Reddy Rishiv Kalia Barani Selvaraj Aboud Ahmed Awadh Bahajjaj R. Balachandran Ali Hajjiah Rajesh Haldhar An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells Scientific Reports Lead-free perovskite Perovskite solar cell K2TiI6 absorber D-PBTTT-14 HTL CdZnS ETL SCAPS-1D |
| title | An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells |
| title_full | An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells |
| title_fullStr | An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells |
| title_full_unstemmed | An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells |
| title_short | An investigation of hole transport layers and electron transport layers to produce highly efficient K2TiI6-based perovskite solar cells |
| title_sort | investigation of hole transport layers and electron transport layers to produce highly efficient k2tii6 based perovskite solar cells |
| topic | Lead-free perovskite Perovskite solar cell K2TiI6 absorber D-PBTTT-14 HTL CdZnS ETL SCAPS-1D |
| url | https://doi.org/10.1038/s41598-025-98351-y |
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