Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells
Although perovskite solar cells (PSCs) have captured notable interest as a potential candidate for third-generation solar cells, due to their favorable optoelectronic properties, cost-effectiveness, and high efficiency, some issues related to device stability and toxicity of the perovskite (PSK) lay...
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my.uniten.dspace-362092025-03-03T15:41:35Z Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells Islam M.A. Haque M.M. Selvanathan V. Mottakin M. Sarkar D.K. Joya K. Alanazi A.M. Suemasu T. Syed I.M. Akhtaruzzaman M. 57361246600 57217203359 57160057200 57195305487 57220704093 18535492500 57210358915 7005897546 7004103166 57195441001 Cesium alloys Cesium compounds Gallium phosphide Germanium oxides Indium phosphide IV-VI semiconductors Layered semiconductors Lead alloys Photoelectric microscopes Photoionization Selenium compounds Semiconducting indium phosphide Solar absorbers Tellurium compounds Band-offset Cell performance Conduction band offset Conduction band offset and valence band offset Inorganics Pb-free Pb-free perovskite solar cell Perovskite layers Valence-band offset ZnO Perovskite Although perovskite solar cells (PSCs) have captured notable interest as a potential candidate for third-generation solar cells, due to their favorable optoelectronic properties, cost-effectiveness, and high efficiency, some issues related to device stability and toxicity of the perovskite (PSK) layer hinders the commercial viability of PSCs. The inherent instability of organic PSK halides and the toxicity of Pb has compelled researchers to focus on developing Pb-free all-inorganic PSCs by replacing the organic species with inorganic (Cs+) cations as a safer alternative. In this study, the SCAPS-1D simulator was employed to investigate the cell performances of all-inorganic Pb-free Cs-based PSCs with three different PSK layers (CsGeI3, CsSnI3, and Cs2TiI6) individually, where inorganic ZnO and CuSCN were used as the electron transport layer (ETL) and the hole transport layer (HTL), respectively. The Cs2TiI6-based PSC was found to have the best performance. Then, the defect tolerance level of the PSK layer and the impact of band offset on cell performances were investigated. The optimum values of the conduction band offset (CBO) and the valence band offset (VBO) were found to be 0�eV and between�?�0.1�eV and 0�eV, respectively. Moreover, the effect of interface defects at the ETL/PSK and PSK/HTL interfaces on cell performance was also analyzed as a function of CBO and VBO and, for both cases, the interface defect tolerance limit was recorded as 1016�cm?2. This study observed a high rate of recombination for negative values of CBO and VBO at the interfaces. Thus, these findings will guide researchers in developing high-performance PSCs with suitable inorganic Pb-free perovskite and charge transport layers. ? The Minerals, Metals & Materials Society 2024. Final 2025-03-03T07:41:35Z 2025-03-03T07:41:35Z 2024 Article 10.1007/s11664-024-11372-7 2-s2.0-85202970348 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85202970348&doi=10.1007%2fs11664-024-11372-7&partnerID=40&md5=c7f0bb24c0893b7b8125ca017cec79f8 https://irepository.uniten.edu.my/handle/123456789/36209 53 11 6823 6837 Springer Scopus |
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Cesium alloys Cesium compounds Gallium phosphide Germanium oxides Indium phosphide IV-VI semiconductors Layered semiconductors Lead alloys Photoelectric microscopes Photoionization Selenium compounds Semiconducting indium phosphide Solar absorbers Tellurium compounds Band-offset Cell performance Conduction band offset Conduction band offset and valence band offset Inorganics Pb-free Pb-free perovskite solar cell Perovskite layers Valence-band offset ZnO Perovskite |
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Cesium alloys Cesium compounds Gallium phosphide Germanium oxides Indium phosphide IV-VI semiconductors Layered semiconductors Lead alloys Photoelectric microscopes Photoionization Selenium compounds Semiconducting indium phosphide Solar absorbers Tellurium compounds Band-offset Cell performance Conduction band offset Conduction band offset and valence band offset Inorganics Pb-free Pb-free perovskite solar cell Perovskite layers Valence-band offset ZnO Perovskite Islam M.A. Haque M.M. Selvanathan V. Mottakin M. Sarkar D.K. Joya K. Alanazi A.M. Suemasu T. Syed I.M. Akhtaruzzaman M. Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| description |
Although perovskite solar cells (PSCs) have captured notable interest as a potential candidate for third-generation solar cells, due to their favorable optoelectronic properties, cost-effectiveness, and high efficiency, some issues related to device stability and toxicity of the perovskite (PSK) layer hinders the commercial viability of PSCs. The inherent instability of organic PSK halides and the toxicity of Pb has compelled researchers to focus on developing Pb-free all-inorganic PSCs by replacing the organic species with inorganic (Cs+) cations as a safer alternative. In this study, the SCAPS-1D simulator was employed to investigate the cell performances of all-inorganic Pb-free Cs-based PSCs with three different PSK layers (CsGeI3, CsSnI3, and Cs2TiI6) individually, where inorganic ZnO and CuSCN were used as the electron transport layer (ETL) and the hole transport layer (HTL), respectively. The Cs2TiI6-based PSC was found to have the best performance. Then, the defect tolerance level of the PSK layer and the impact of band offset on cell performances were investigated. The optimum values of the conduction band offset (CBO) and the valence band offset (VBO) were found to be 0�eV and between�?�0.1�eV and 0�eV, respectively. Moreover, the effect of interface defects at the ETL/PSK and PSK/HTL interfaces on cell performance was also analyzed as a function of CBO and VBO and, for both cases, the interface defect tolerance limit was recorded as 1016�cm?2. This study observed a high rate of recombination for negative values of CBO and VBO at the interfaces. Thus, these findings will guide researchers in developing high-performance PSCs with suitable inorganic Pb-free perovskite and charge transport layers. ? The Minerals, Metals & Materials Society 2024. |
| author2 |
57361246600 |
| author_facet |
57361246600 Islam M.A. Haque M.M. Selvanathan V. Mottakin M. Sarkar D.K. Joya K. Alanazi A.M. Suemasu T. Syed I.M. Akhtaruzzaman M. |
| format |
Article |
| author |
Islam M.A. Haque M.M. Selvanathan V. Mottakin M. Sarkar D.K. Joya K. Alanazi A.M. Suemasu T. Syed I.M. Akhtaruzzaman M. |
| author_sort |
Islam M.A. |
| title |
Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| title_short |
Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| title_full |
Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| title_fullStr |
Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| title_full_unstemmed |
Theoretical Analysis on Interfacial Dynamics Between Charge Transport Layer and Different Absorbers in Pb-free All Inorganic Perovskites Solar Cells |
| title_sort |
theoretical analysis on interfacial dynamics between charge transport layer and different absorbers in pb-free all inorganic perovskites solar cells |
| publisher |
Springer |
| publishDate |
2025 |
| _version_ |
1825816054826270720 |
| score |
13.244368 |