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<p>We investigate the opto-electro-mechanical characteristics and stability of Ruddlesden–Popper X-FPEA<sub>2</sub>PbI<sub>4</sub> 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&#xa0;eV, 2.133&#xa0;eV, and 2.177&#xa0;eV, respectively. Notably, p-FPEA<sub>2</sub>PbI<sub>4</sub> exhibits superior stability, characterized by an enhanced formation energy of − 4.825&#xa0;eV, compared to m-FPEA<sub>2</sub>PbI<sub>4</sub> (− 4.647&#xa0;eV) and o-FPEA<sub>2</sub>PbI<sub>4</sub> (− 4.581&#xa0;eV). Thus, p-FPEA<sub>2</sub>PbI<sub>4</sub> emerges as a leading candidate for the active layer in perovskite light-emitting diodes (PeLEDs). Internal quantum efficiencies of 6.289% for PEA<sub>2</sub>PbI<sub>4</sub> and 2.285% for p-FPEA<sub>2</sub>PbI<sub>4</sub> have been achieved, both of which are higher than those of MAPbI<sub>3</sub>. In contrast, the dependence of efficiency on temperature fluctuations for p-FPEA<sub>2</sub>PbI<sub>4</sub> is 0.01 1/K, compared to PEA<sub>2</sub>PbI<sub>4</sub>’s 0.0282 1/K, highlighting its enhanced stability under temperature changes. Furthermore, the stability of the emission spectrum against temperature fluctuations for p-FPEA<sub>2</sub>PbI<sub>4</sub>, with a value of 0.0156&#xa0;nm/K, is greater than that of PEA<sub>2</sub>PbI<sub>4</sub>, which has a value of 0.0245&#xa0;nm/K. Although the efficiency of PeLEDs utilizing p-FPEA<sub>2</sub>PbI<sub>4</sub> is somewhat lower than that of PEA<sub>2</sub>PbI<sub>4</sub>, its superior stability makes it a compelling choice for future applications, paving the way for more reliable and durable light-emitting devices.</p>

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2D Ruddlesden–Popper X-FPEA2PbI4 perovskites for highly stable PeLED with improved opto-electro-mechanical properties

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  • 发表日期：

    2025年7月1日

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  • Samad Shokouhi,
  • Seyedeh Bita Saadatmand,
  • Vahid Ahmadi,
  • Farzaneh Arabpour Roghabadi

摘要

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.