In this groundbreaking study, we unveil the remarkable structural, electronic, and optical Properties of the newly discovered double perovskite material, K₂AgBiI₆, presenting a paradigm shift in materials science. The unique crystal structure and diverse atomic interactions inherent in this double perovskite make it an up-and-coming candidate for various technological applications, particularly in photovoltaics; owing to its stability and resistance to heat and humidity, we aim to shed light on the extraordinary potential of K₂AgBiI₆. Our study provides valuable insights for researchers engaged in tailored material design. We anticipate that the exceptional electronic properties of K₂AgBiI₆ will not only redefine the boundaries of materials engineering but also catalyze unprecedented advances in sustainable technology. Employing the powerful computational tool CASTEP, we conducted detailed electronic structure calculations within the framework of Density Functional Theory (DFT) to unravel the electronic properties of the double perovskite K₂AgBiI₆. Our investigation thoroughly explored structural properties, band structure, total density of states (DOS), and partial density of states (PDOS). Furthermore, we systematically examined the influence of different exchange-correlation functionals, including LDA, GGA, and m-GGA, on the electronic and optical features of the material by presenting a comparative analysis of these approximations.

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Tandem solar cells have a wider photon absorption range, allowing them to provide better efficiency than single-junction SC. The upper cell absorbs high-energy photons, while the lower cell absorbs low-energy filtered photons. However, in order to obtain affordable, efficient, and long-lasting SC, the absorber layers of the top and bottom cells must be integrated with an adequate bandgap. This research suggests tandem perovskite solar cells as upper band active materials in this setting. The Si homojunction solar cell's performance was improved by investigating the thicknesses of the p−type and n−type layers, doping concentrations, and defect densities. The thickness variation of the perovskite solar cell (100−400nm) is then optimized. To precisely replicate the tandem devices, the estimated spectra of the perovskite SC are optically filtered onto the lower cells. Current matching was achieved by adjusting the thickness of the perovskite sub-cell with different bottom layer thicknesses, and the optimized efficiency of 36.26% for the perovskite/Si tandem device was shown. The discoveries will open the door for the upcoming creation of high−efficiency, low-energy solar cells.

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Surface plasmon technology is regarded as having significant potential for the enhancement of the performance of 2D oxide semiconductors, especially in terms of improving the light absorption of 2D MoO3 photodetectors. An ultrathin MoO3/Ir/SiO2/Si heterojunction Schottky self-powered photodetector is introduced here to showcase positive photoconductivity. In wafer-scale production, the initial un-annealed Mo/2 nm Ir/SiO2/Si sample displays a sheet carrier concentration of 5.76 × 1011/cm², which subsequently increases to 6.74 × 1012/cm² after annealing treatment, showing a negative photoconductivity behavior at a 0 V bias voltage. This suggests that annealing enhances the diffusion of Ir into the MoO3 layer, resulting in an increased phonon scattering probability and, consequently, an extension of the negative photoconductivity behavior. This underscores the significance of negative photoconductive devices in the realm of optoelectronic applications.@en

In this study, we delved into the influence of Ir nanofilm coating thickness on the optical and optoelectronic behavior of ultrathin MoO3 wafer-scale devices. Notably, the 4 nm Ir coating showed a negative Hall voltage and high carrier concentration of 1.524 × 1019 cm−3 with 0.19 nm roughness. Using the Kubelka–Munk model, we found that the bandgap decreased with increasing Ir thickness, consistent with Urbach tail energy suggesting a lower level of disorder. Regarding transient photocurrent behavior, all samples exhibited high stability under both dark and UV conditions. We also observed a positive photoconductivity at bias voltages of >0.5 V, while at 0 V bias voltage, the samples displayed a negative photoconductivity behavior. This unique aspect allowed us to explore self-powered negative photodetectors, showcasing fast response and recovery times of 0.36/0.42 s at 0 V. The intriguing negative photoresponse that we observed is linked to hole self-trapping/charge exciton and Joule heating effects.@en

The phenomenon of hot carriers, which are generated through the nonradiative decay of surface plasmons in ultrathin metallic films, offers an intriguing opportunity for subbandgap photodetection even at room temperature. These hot carriers possess sufficient energy to inject into the conduction band of a semiconductor material. The groundbreaking use of iridium (Ir) ultrathin film as an ultraviolet (UV) plasmonic material on silicon (Si) for high-performance photodetectors (PHDs) has been successfully demonstrated. Elevating the thickness of the sputtered Ir film to 4 nm yields a notable surge in photocurrent, registering an impressive 600 μA under 365 nm UV illumination with electron mobility of 1.37E3 cm² V⁻¹ s. This PHD exhibits excellent OFF-ON photoresponses at various applied voltages ranging from 0 to 5 V, maintaining a stable photocurrent. Under UV illumination, it displays exceptional performance, achieving a high detectivity of 1.25E14 Jones and a responsivity of 1.28 A W⁻¹. These outstanding results underscore the significant advantages of increasing the thickness of the Ir film in PHDs, leading to improvements in conductivity, detectivity, external quantum efficiency, responsivity, as well as superior sensitivity for light detection.

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