Inorganic novel cubic halide perovskite Sr3AsI3: Strain-activated electronic and optical properties

Improving the Efficiency of a New Perovskite Solar Cell Based on Sr3SbI3 by Optimizing the Hole Transport Layer

“…The lattice constant of an improved relaxed Sr 3 SbI 3 structure is 6.7575 Å, and the results are consistent with the previous reputed work. 9,17…”

“…where E Formation is the formation energy of Sr 3 SbI 3 that is roughly −1.738 eV/atom (negative), 17 E Srd 3 SbId 3 is the energy of Sr 3 SbI 3 , E SrI is the energy of SrI, and E AsId 2 is the energy of AsI 2 .…”

“…In the recommended setups, the optical absorption coefficient displays characteristics similar to the imaginary component of the dielectric constant. The compressed material absorbs more visible light than the tensile structure. ,,, On the other hand, the reflectance of the Sr 3 SbI 3 perovskite may also be affected by the incident light’s wavelengths and their angle. Figure b displays the reflectivity of the Sr 3 SbI 3 perovskite material as an indicator of photon power in the ranges of 0–3.7 eV.…”

“…15,16 Inorganic Sr 3 SbI 3 perovskites appeared as potential absorbers with tunable band gap (1.31 eV), outstanding compositional stability, and heat stability to be employed in developing high-performance advance tandem PSCs. 17,18 Over the past several years, PSCs have attracted a lot of attention due to their power conversion efficiency (PCE), which was 2.9% in the beginning stages but is now above 19%. 19,20 So far, the unstable black phases of Sr 3 SbI 3 quickly transform into the nonperovskite yellow δ-phase, even at room temperature.…”

“…Perovskite materials have advanced significantly in photovoltaics (PV), offering expected replacements for high-efficiency solar cell technology. − Specifically, inorganic perovskites have drawn considerable attention because of their distinctive and fascinating structural, electrical, and optical features. Several A 3 MX 3 group perovskites have recently come forward as standout candidates among these materials, − while hybrid organic–inorganic perovskite solar cells (PSCs) show greatly enhanced PV performance with low trap density, high optical absorption, high charge-carrier mobility, low exciton binding energy, and prolonged charge-carrier lifespan. ,,− However, the most significant issues with the widespread commercial applications of organic cations are their volatility and thermal instability. , Inorganic Sr 3 SbI 3 perovskites appeared as potential absorbers with tunable band gap (1.31 eV), outstanding compositional stability, and heat stability to be employed in developing high-performance advance tandem PSCs. , Over the past several years, PSCs have attracted a lot of attention due to their power conversion efficiency (PCE), which was 2.9% in the beginning stages but is now above 19%. , So far, the unstable black phases of Sr 3 SbI 3 quickly transform into the nonperovskite yellow δ-phase, even at room temperature. − Therefore, different strategies such as doping, grain-size reduction, changing the tolerance factor, or surface energy are utilized to stabilize Sr 3 SbI 3 in the black phase. Additionally, the doping method, which involves adding the proper element ions to Sr 3 SbI 3 , is widely used to stabilize the black phase.…”