2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties
Abstract We investigate the opto-electro-mechanical characteristics and stability of Ruddlesden–Popper X-FPEA2PbI4 perovskites, where X represents para (p), meso (m), and ortho (o) configurations. The findings reveal that the transition from para to meso and ortho configurations results in a progres...
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Nature Portfolio
2025-07-01
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| Online Access: | https://doi.org/10.1038/s41598-025-00342-6 |
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| author | Samad Shokouhi Seyedeh Bita Saadatmand Vahid Ahmadi Farzaneh Arabpour Roghabadi |
| author_facet | Samad Shokouhi Seyedeh Bita Saadatmand Vahid Ahmadi Farzaneh Arabpour Roghabadi |
| author_sort | Samad Shokouhi |
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| description | Abstract We investigate the opto-electro-mechanical characteristics and stability of Ruddlesden–Popper X-FPEA2PbI4 perovskites, where X represents para (p), meso (m), and ortho (o) configurations. The findings reveal that the transition from para to meso and ortho configurations results in a progressive increase in the bandgap, with values of 2.097 eV, 2.133 eV, and 2.177 eV, respectively. Notably, p-FPEA2PbI4 exhibits superior stability, characterized by an enhanced formation energy of − 4.825 eV, compared to m-FPEA2PbI4 (− 4.647 eV) and o-FPEA2PbI4 (− 4.581 eV). Thus, p-FPEA2PbI4 emerges as a leading candidate for the active layer in perovskite light-emitting diodes (PeLEDs). Internal quantum efficiencies of 6.289% for PEA2PbI4 and 2.285% for p-FPEA2PbI4 have been achieved, both of which are higher than those of MAPbI3. In contrast, the dependence of efficiency on temperature fluctuations for p-FPEA2PbI4 is 0.01 1/K, compared to PEA2PbI4’s 0.0282 1/K, highlighting its enhanced stability under temperature changes. Furthermore, the stability of the emission spectrum against temperature fluctuations for p-FPEA2PbI4, with a value of 0.0156 nm/K, is greater than that of PEA2PbI4, which has a value of 0.0245 nm/K. Although the efficiency of PeLEDs utilizing p-FPEA2PbI4 is somewhat lower than that of PEA2PbI4, its superior stability makes it a compelling choice for future applications, paving the way for more reliable and durable light-emitting devices. |
| format | Article |
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| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
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| series | Scientific Reports |
| spelling | doaj-art-df0f96695e214b69b57592ca4330b17d2025-08-20T04:01:35ZengNature PortfolioScientific Reports2045-23222025-07-0115111410.1038/s41598-025-00342-62D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical propertiesSamad Shokouhi0Seyedeh Bita Saadatmand1Vahid Ahmadi2Farzaneh Arabpour Roghabadi3Faculty of Electrical and Computer Engineering, Tarbiat Modares UniversityFaculty of Electrical and Computer Engineering, Tarbiat Modares UniversityFaculty of Electrical and Computer Engineering, Tarbiat Modares UniversityFaculty of Chemical Engineering, Tarbiat Modares UniversityAbstract We investigate the opto-electro-mechanical characteristics and stability of Ruddlesden–Popper X-FPEA2PbI4 perovskites, where X represents para (p), meso (m), and ortho (o) configurations. The findings reveal that the transition from para to meso and ortho configurations results in a progressive increase in the bandgap, with values of 2.097 eV, 2.133 eV, and 2.177 eV, respectively. Notably, p-FPEA2PbI4 exhibits superior stability, characterized by an enhanced formation energy of − 4.825 eV, compared to m-FPEA2PbI4 (− 4.647 eV) and o-FPEA2PbI4 (− 4.581 eV). Thus, p-FPEA2PbI4 emerges as a leading candidate for the active layer in perovskite light-emitting diodes (PeLEDs). Internal quantum efficiencies of 6.289% for PEA2PbI4 and 2.285% for p-FPEA2PbI4 have been achieved, both of which are higher than those of MAPbI3. In contrast, the dependence of efficiency on temperature fluctuations for p-FPEA2PbI4 is 0.01 1/K, compared to PEA2PbI4’s 0.0282 1/K, highlighting its enhanced stability under temperature changes. Furthermore, the stability of the emission spectrum against temperature fluctuations for p-FPEA2PbI4, with a value of 0.0156 nm/K, is greater than that of PEA2PbI4, which has a value of 0.0245 nm/K. Although the efficiency of PeLEDs utilizing p-FPEA2PbI4 is somewhat lower than that of PEA2PbI4, its superior stability makes it a compelling choice for future applications, paving the way for more reliable and durable light-emitting devices.https://doi.org/10.1038/s41598-025-00342-6Density functional theoryFinite element methodPerovskite light-emitting diodesStabilityRuddlesden–Popper two-dimensional perovskites |
| spellingShingle | Samad Shokouhi Seyedeh Bita Saadatmand Vahid Ahmadi Farzaneh Arabpour Roghabadi 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties Scientific Reports Density functional theory Finite element method Perovskite light-emitting diodes Stability Ruddlesden–Popper two-dimensional perovskites |
| title | 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties |
| title_full | 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties |
| title_fullStr | 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties |
| title_full_unstemmed | 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties |
| title_short | 2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties |
| title_sort | 2d ruddlesden popper x fpea2pbi4 perovskites for highly stable peled with improved opto electro mechanical properties |
| topic | Density functional theory Finite element method Perovskite light-emitting diodes Stability Ruddlesden–Popper two-dimensional perovskites |
| url | https://doi.org/10.1038/s41598-025-00342-6 |
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