پیوندهای مفید
آمار
| تعداد نشریات | 8 |
| تعداد شماره‌ها | 419 |
| تعداد مقالات | 5,514 |
| تعداد مشاهده مقاله | 6,249,038 |
| تعداد دریافت فایل اصل مقاله | 5,419,472 |
Comprehensive Study on Optical, Electrical, and Stability Properties of BA2PbBr4-xClx (x = 0, 2, and 4) Ruddlesden Popper Perovskites for High-Performance PeLEDs | ||
| AUT Journal of Electrical Engineering | ||
| دوره 56، شماره 3، 2024، صفحه 389-398 اصل مقاله (1.3 M) | ||
| نوع مقاله: Research Article | ||
| شناسه دیجیتال (DOI): 10.22060/eej.2024.22949.5577 | ||
| نویسندگان | ||
| Samad Shokouhi1؛ Seyedeh Bita Saadatmand1؛ Vahid Ahmadi* 2؛ Farzaneh Arabpour Roghabadi2 | ||
| 1Faculty of Electrical and Computer Engineering, Tarbiat Modares University, Tehran, Iran | ||
| 2Faculty of Chemical Engineering, Tarbiat Modares University, Tehran, Iran | ||
| چکیده | ||
| Two-dimensional (2D) perovskites in the Ruddlesden Popper (RP) structure are commonly employed in optoelectronic applications. This research introduces BA2PbBr4-xClx (x=0, 2, and 4) as a mixed-halide 2D perovskite material for use in the active layer of perovskite light-emitting diodes (PeLEDs). By utilizing density functional theory (DFT), the electrical, optical, and stability properties of BA2PbBr4-xClx, which have not been previously reported, are investigated. The results show that with an increasing value of x, the bandgap energy shifts towards higher energies (blue shift), while the refractive index decreases. In addition, we demonstrate the band-edge orbitals by analyzing the partial density of states (PDOS) and observing the effect of halide change on them. In the case of x=0 (BA2PbBr4), the thermodynamic stability is lower compared to the other two states: BA2PbBr4Cl2 (x=2) and BA2PbCl4 (x=4). The thermal stability of these materials is studied using the ab initio molecular dynamic (AIMD) method. Furthermore, the stability of these materials in relation to water is also investigated, aligning with the results of thermodynamic stability. The research also explores the influence of strain on bandgap and refractive index. The results show that all three materials are thermodynamically stable, with direct and large band gaps suitable for blue PeLED applications. | ||
| کلیدواژه‌ها | ||
| Density Functional Theory؛ Mixed-halide 2D-Perovskites؛ Band Structure؛ Thermodynamical Stability؛ Moisture Stability | ||
| مراجع | ||
|
[1] Veldhuis, S.A., Boix, P.P., Yantara, N., Li, M., Sum, T.C., Mathews, N. and Mhaisalkar, S.G., 2016. Perovskite materials for light‐emitting diodes and lasers. Advanced Materials, 28(32), pp.6804-6834.
[2] Yin, W.J., Yang, J.H., Kang, J., Yan, Y. and Wei, S.H., 2015. Halide perovskite materials for solar cells: a theoretical review. Journal of Materials Chemistry A, 3(17), pp.8926-8942.
[3] Saadatmand, S.B., Shokouhi, S., Ahmadi, V. and Hamidi, S.M., 2023. Design and analysis of a flexible Ruddlesden–Popper 2D perovskite metastructure based on symmetry-protected THz-bound states in the continuum. Scientific Reports, 13(1), p.22411.
[4] Shokouhi, S., Saadatmand, S.B. and Ahmadi, V., 2023, October. First Principles Study of Optical and Electrical Properties for Mixed-halide 2D BA2PbBr4-xClx (x= 0, 2, and 4) as an Active Layer of Perovskite Light Emitting Diode. In 2023 5th Iranian International Conference on Microelectronics (IICM) (pp. 219-221). IEEE.
[5] Zhang, L., Sun, C., He, T., Jiang, Y., Wei, J., Huang, Y. and Yuan, M., 2021. High-performance quasi-2D perovskite light-emitting diodes: from materials to devices. Light: Science & Applications, 10(1), p.61.
[6] Xing, J., Zhao, Y., Askerka, M., Quan, L.N., Gong, X., Zhao, W., Zhao, J., Tan, H., Long, G., Gao, L. and Yang, Z., 2018. Color-stable highly luminescent sky-blue perovskite light-emitting diodes. Nature Communications, 9(1), p.3541.
[7] Zhou, G., Li, M., Zhao, J., Molokeev, M.S. and Xia, Z., 2019. Single‐Component White‐Light Emission in 2D Hybrid Perovskites with Hybridized Halogen Atoms. Advanced Optical Materials, 7(24), p.1901335.
[8] Silver, S., Yin, J., Li, H., Brédas, J.L. and Kahn, A., 2018. Characterization of the valence and conduction band levels of n= 1 2D perovskites: a combined experimental and theoretical investigation. Advanced Energy Materials, 8(16), p.1703468.
[9] Ma, L., Dai, J. and Zeng, X.C., 2017. Two‐Dimensional Single‐Layer Organic-Inorganic Hybrid Perovskite Semiconductors. Advanced Energy Materials, 7(7), p.1601731.
[10] Segall, M.D., Lindan, P.J., Probert, M.A., Pickard, C.J., Hasnip, P.J., Clark, S.J. and Payne, M.C., 2002. First-principles simulation: ideas, illustrations, and the CASTEP code. Journal of Physics: Condensed Matter, 14(11), p.2717.
[11] Palik, E.D. ed., 1998. Handbook of Optical Constants of Solids (Vol. 3). Academic Press.
[12] Yang, Y., Gao, F., Gao, S. and Wei, S.H., 2018. Origin of the stability of two-dimensional perovskites: a first-principles study. Journal of Materials Chemistry A, 6(30), pp.14949-14955.
[13] Hu, J., Ma, X., Duan, W., Liu, Z., Liu, T., Lv, H., Huang, C., Miao, L. and Jiang, J., 2020. First-Principles Calculations of Graphene-Coated CH3NH3PbI3 toward Stable Perovskite Solar Cells in Humid Environments. ACS Applied Nano Materials, 3(8), pp.7704-7712.
[14] Varghese, A., Yin, Y., Wang, M., Lodha, S. and Medhekar, N.V., 2022. Near‐Infrared and Visible‐Range Optoelectronics in 2D Hybrid Perovskite/Transition Metal Dichalcogenide Heterostructures. Advanced Materials Interfaces, 9(14), p.2102174. | ||
|
آمار تعداد مشاهده مقاله: 400 تعداد دریافت فایل اصل مقاله: 368 |
||