Design and Optimization of High-Performance Novel RbPbBr3‑Based Solar Cells with Wide-Band-Gap S‑Chalcogenide Electron Transport Layers (ETLs)
Inorganic cubic rubidium–lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium–lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electr...
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| Veröffentlicht in: | ACS omega Jg. 9; H. 18; S. 19824 - 19836 |
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American Chemical Society
07.05.2024
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| Abstract | Inorganic cubic rubidium–lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium–lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D simulator. Initially, the band gap and optical performance were computed using DFT, and these results were utilized for the first time in the SCAPS-1D simulator. Furthermore, the impact of different major influencing parameters, that is, the thickness of the layer, bulk defect density, doping concentration, and defect density of interfaces, including the working temperature, were also investigated and unveiled. Further, a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative study of different reported heterostructures was performed to explore the benchmark of the most recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) was 29.75% for the SnS2 ETL with V oc of 0.9789 V, J sc of 34.57863 mA cm–2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57% were obtained for In2S3 and WS2 ETLs, respectively. The electron–hole generation, recombination rates, and quantum efficiency (QE) characteristics were also investigated in detail. Thus, the SnS2 ETL shows strong potential for use in RbPbBr3-based hybrid perovskite high-performance photovoltaic devices. |
|---|---|
| AbstractList | Inorganic cubic rubidium–lead-halide perovskites
have attracted
considerable attention owing to their structural, electronic, and
unique optical properties. In this study, novel rubidium–lead-bromide
(RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with
several high-band-gap chalcogenide electron transport layers (ETLs)
of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D
simulator. Initially, the band gap and optical performance were computed
using DFT, and these results were utilized for the first time in the
SCAPS-1D simulator. Furthermore, the impact of different major influencing
parameters, that is, the thickness of the layer, bulk defect density,
doping concentration, and defect density of interfaces, including
the working temperature, were also investigated and unveiled. Further,
a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative
study of different reported heterostructures was performed to explore
the benchmark of the most recent efficient RbPbBr3-based
photovoltaics. The highest power conversion efficiency (PCE) was 29.75%
for the SnS2 ETL with Voc of
0.9789 V, Jsc of 34.57863 mA cm–2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57%
were obtained for In2S3 and WS2 ETLs,
respectively. The electron–hole generation, recombination rates,
and quantum efficiency (QE) characteristics were also investigated
in detail. Thus, the SnS2 ETL shows strong potential for
use in RbPbBr3-based hybrid perovskite high-performance
photovoltaic devices. Inorganic cubic rubidium-lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium-lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D simulator. Initially, the band gap and optical performance were computed using DFT, and these results were utilized for the first time in the SCAPS-1D simulator. Furthermore, the impact of different major influencing parameters, that is, the thickness of the layer, bulk defect density, doping concentration, and defect density of interfaces, including the working temperature, were also investigated and unveiled. Further, a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative study of different reported heterostructures was performed to explore the benchmark of the most recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) was 29.75% for the SnS2 ETL with Voc of 0.9789 V, Jsc of 34.57863 mA cm-2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57% were obtained for In2S3 and WS2 ETLs, respectively. The electron-hole generation, recombination rates, and quantum efficiency (QE) characteristics were also investigated in detail. Thus, the SnS2 ETL shows strong potential for use in RbPbBr3-based hybrid perovskite high-performance photovoltaic devices.Inorganic cubic rubidium-lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium-lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D simulator. Initially, the band gap and optical performance were computed using DFT, and these results were utilized for the first time in the SCAPS-1D simulator. Furthermore, the impact of different major influencing parameters, that is, the thickness of the layer, bulk defect density, doping concentration, and defect density of interfaces, including the working temperature, were also investigated and unveiled. Further, a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative study of different reported heterostructures was performed to explore the benchmark of the most recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) was 29.75% for the SnS2 ETL with Voc of 0.9789 V, Jsc of 34.57863 mA cm-2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57% were obtained for In2S3 and WS2 ETLs, respectively. The electron-hole generation, recombination rates, and quantum efficiency (QE) characteristics were also investigated in detail. Thus, the SnS2 ETL shows strong potential for use in RbPbBr3-based hybrid perovskite high-performance photovoltaic devices. Inorganic cubic rubidium–lead-halide perovskites have attracted considerable attention owing to their structural, electronic, and unique optical properties. In this study, novel rubidium–lead-bromide (RbPbBr3)-based hybrid perovskite solar cells (HPSCs) with several high-band-gap chalcogenide electron transport layers (ETLs) of In2S3, WS2, and SnS2 were studied by density functional theory (DFT) and using the SCAPS-1D simulator. Initially, the band gap and optical performance were computed using DFT, and these results were utilized for the first time in the SCAPS-1D simulator. Furthermore, the impact of different major influencing parameters, that is, the thickness of the layer, bulk defect density, doping concentration, and defect density of interfaces, including the working temperature, were also investigated and unveiled. Further, a study on an optimized device with the most potential ETL (SnS2) layer was performed systematically. Finally, a comparative study of different reported heterostructures was performed to explore the benchmark of the most recent efficient RbPbBr3-based photovoltaics. The highest power conversion efficiency (PCE) was 29.75% for the SnS2 ETL with V oc of 0.9789 V, J sc of 34.57863 mA cm–2, and fill factor (FF) of 87.91%, while the PCEs of 21.15 and 24.57% were obtained for In2S3 and WS2 ETLs, respectively. The electron–hole generation, recombination rates, and quantum efficiency (QE) characteristics were also investigated in detail. Thus, the SnS2 ETL shows strong potential for use in RbPbBr3-based hybrid perovskite high-performance photovoltaic devices. |
| Author | Ghosh, Avijit Bhattarai, Sagar Amami, Mongi Kuddus, Abdul Shaaban, Ibrahim A. Mohammed, Mustafa K. A. Reza, Md. Selim Rahman, Md. Ferdous Pal, Debashish Islam, Md. Rasidul |
| AuthorAffiliation | Ritsumeikan Global Innovation Research Organization Department of Chemistry, Faculty of Science College of Engineering Department of Electrical and Electronic Engineering Department of Material Science and Engineering Technology Innovation and Development Foundation Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering |
| AuthorAffiliation_xml | – name: Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering – name: Department of Electrical and Electronic Engineering – name: Ritsumeikan Global Innovation Research Organization – name: Department of Chemistry, Faculty of Science – name: Technology Innovation and Development Foundation – name: College of Engineering – name: Department of Material Science and Engineering |
| Author_xml | – sequence: 1 givenname: Md. Selim surname: Reza fullname: Reza, Md. Selim organization: Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering – sequence: 2 givenname: Md. Ferdous orcidid: 0000-0002-0090-2384 surname: Rahman fullname: Rahman, Md. Ferdous email: ferdousapee@gmail.com organization: Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering – sequence: 3 givenname: Abdul orcidid: 0000-0001-5204-3844 surname: Kuddus fullname: Kuddus, Abdul email: kuddus4910@gmail.com organization: Ritsumeikan Global Innovation Research Organization – sequence: 4 givenname: Mustafa K. A. orcidid: 0000-0002-1850-6355 surname: Mohammed fullname: Mohammed, Mustafa K. A. organization: College of Engineering – sequence: 5 givenname: Debashish surname: Pal fullname: Pal, Debashish organization: Department of Material Science and Engineering – sequence: 6 givenname: Avijit orcidid: 0009-0000-8044-7686 surname: Ghosh fullname: Ghosh, Avijit email: avijitghosheee@gmail.com organization: Advanced Energy Materials and Solar Cell Research Laboratory, Department of Electrical and Electronic Engineering – sequence: 7 givenname: Md. Rasidul orcidid: 0000-0002-9916-793X surname: Islam fullname: Islam, Md. Rasidul organization: Department of Electrical and Electronic Engineering – sequence: 8 givenname: Sagar orcidid: 0000-0002-4805-9613 surname: Bhattarai fullname: Bhattarai, Sagar organization: Technology Innovation and Development Foundation – sequence: 9 givenname: Ibrahim A. surname: Shaaban fullname: Shaaban, Ibrahim A. organization: Department of Chemistry, Faculty of Science – sequence: 10 givenname: Mongi surname: Amami fullname: Amami, Mongi organization: Department of Chemistry, Faculty of Science |
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| Title | Design and Optimization of High-Performance Novel RbPbBr3‑Based Solar Cells with Wide-Band-Gap S‑Chalcogenide Electron Transport Layers (ETLs) |
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