کنفرانس مهندسی برق ایران

صفحه اصلی / سی و دومین کنفرانس بین المللی مهندسی برق

Electronic properties of 2D perovskites NMA2PbBr4 and NEA2PbBr4 for PeLED applications: first principle approach

نویسندگان :

Samad Shokouhi¹ Seyedeh bita Saadatmand² Vahid Ahmadi³

1- دانشگاه تربیت مدرس 2- دانشگاه تربیت مدرس 3- دانشگاه تربیت مدرس

کلمات کلیدی :

Perovskite light emitting diode،two-dimensional perovskite،density functional theory،thermodynamic stability

چکیده :

Perovskite light emitting diode (PeLED) with two-dimensional perovskite NMA2PbBr4 and NEA2PbBr4 is proposed as an active area. These materials have aromatic cations and have outstanding stability compared to three-dimensional (3D) perovskite materials. In this study, using density functional theory (DFT), thermodynamic stability, bandgap, effective mass, density of states, and refractive index are investigated. NMA2PbBr4 and NEA2PbBr4 have a direct gap of 2.714 (eV) and 2.607 (eV), respectively. The reason for the blue shift of NEA2PbBr4 compared to NMA2PbBr4 is the smaller bond angle Pb-Br-Pb and more overlap of orbitals.